SCHEMBL2293328

SCHEMBL2293328

CCCCCCOC(=O)C(CC)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 2/20 0.57
LMNA P02545 2/20 0.55
TSHR P16473 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28862073 1.00 NPC1 (0.57) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL2287191 1.00 NPC1 (0.57) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL805586 0.98 KDM4E (0.58) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL6756399 0.94 KDM4E (0.59) NPC1RAB9ASMN1; SMN2KDM4ELMNA
Butyric Acid SCHEMBL28605153 0.93 NPC1 (0.51) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL11296489 0.89 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL3929627 0.89 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL2296156 0.89 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL2296519 0.89 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL7919748 0.89 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108546720-B Method for preparing (S) -2-phenylbutyric acid through stereoselective enzymatic hydrolysis 湖南理工学院 2021-09-03 CN claimed
CN-113278604-A Method for hydrolyzing and splitting 2-phenylbutyric acid enantiomer by using immobilized lipase as catalyst 湖南理工学院 2021-08-20 CN claimed
EP-1490469-A2 METHODS AND COMPOSITIONS FOR REMOVING RESIDUES AND SUBSTANCES FROM SUBSTRATES USING ENVIRONMENTALLY FRIENDLY SOLVENTS North Carolina State University (US) 2004-12-29 EP claimed
US-20030213747-A1 Methods and compositions for removing residues and substances from substrates using environmentally friendly solvents NORTH CAROLINA STATE UNIVERSITY 2003-11-20 US claimed
WO-2003072215-A2 METHODS AND COMPOSITIONS FOR REMOVING RESIDUES AND SUBSTANCES FROM SUBSTRATES USING ENVIRONMENTALLY FRIENDLY SOLVENTS NORTH CAROLINA STATE UNIVERSITY (US) 2003-09-04 WO claimed
US-11732223-B2 Solvent compositions for removing petroleum residue from a substrate and methods of use thereof Crude Spill Cleaning Co. Inc (US) 2023-08-22 US disclosed
CN-108546720-B Method for preparing (S) -2-phenylbutyric acid through stereoselective enzymatic hydrolysis 湖南理工学院 2021-09-03 CN disclosed
CN-113278604-A Method for hydrolyzing and splitting 2-phenylbutyric acid enantiomer by using immobilized lipase as catalyst 湖南理工学院 2021-08-20 CN disclosed
US-11001789-B2 Solvent compositions for removing petroleum residue from a substrate and methods of use thereof Crude Spill Cleaning Co. Inc. (US) 2021-05-11 US disclosed
US-20180037850-A1 Solvent compositions for removing petroleum residue from a substrate and methods of use thereof CRUDE SPILL CLEANING COMPANY, INC. 2018-02-08 US disclosed
US-20150152363-A1 Solvent compositions for removing petroleum residue from a substrate and methods of use thereof TROXLER ELECTRONIC LABORATORIES, INC. 2015-06-04 US disclosed
US-8951952-B2 Solvent compositions for removing petroleum residue from a substrate and methods of use thereof TROXLER ELECTRONIC LABORATORIES, INC. (US) 2015-02-10 US disclosed
EP-1723224-A4 SOLVENT COMPOSITIONS FOR REMOVING PETROLEUM RESIDUE FROM A SUBSTRATE AND METHODS OF USE THEREOF TROXLER ELECTRONICS LAB INC (US) 2008-02-27 EP disclosed
US-20070095753-A1 Methods and compositions for removing residues and substances from substrates using environmentally friendly solvents CARBONELL RUBEN G 2007-05-03 US disclosed
EP-1723224-A2 SOLVENT COMPOSITIONS FOR REMOVING PETROLEUM RESIDUE FROM A SUBSTRATE AND METHODS OF USE THEREOF Troxler Electronics Laboratories, Inc. (US) 2006-11-22 EP disclosed
WO-2005091771-A2 SOLVENT COMPOSITIONS FOR REMOVING PETROLEUM RESIDUE FROM A SUBSTRATE AND METHODS OF USE THEREOF TROXLER ELECTRONICS LABORATORIES, INC. (US) 2005-10-06 WO disclosed
US-20050197267-A1 10-60% by weight aromatic ester, 30-60% by weight aliphatic ester, 0-15% by weight co-solvent, 0-10% by weight cyclic terpene or terpenoid, 0-1% by weight odor-masking agent and 0-20% by weight nonionic surfactant; for removing petroleum residues (e.g., asphalt) from work surface such as truck bed TROXLER ELECTRONICS LABORATORIES, INC. (US) 2005-09-08 US disclosed
EP-1490469-A2 METHODS AND COMPOSITIONS FOR REMOVING RESIDUES AND SUBSTANCES FROM SUBSTRATES USING ENVIRONMENTALLY FRIENDLY SOLVENTS North Carolina State University (US) 2004-12-29 EP disclosed
US-20030213747-A1 Methods and compositions for removing residues and substances from substrates using environmentally friendly solvents NORTH CAROLINA STATE UNIVERSITY 2003-11-20 US disclosed
WO-2003072215-A2 METHODS AND COMPOSITIONS FOR REMOVING RESIDUES AND SUBSTANCES FROM SUBSTRATES USING ENVIRONMENTALLY FRIENDLY SOLVENTS NORTH CAROLINA STATE UNIVERSITY (US) 2003-09-04 WO disclosed