SCHEMBL3672958

SCHEMBL3672958

CC/C=C(\C(=O)O)c1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 1/20 0.36
TBXAS1 P24557 2/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
HTR1A P08908 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
GLA P06280 1/20 0.31
BRAF P15056 1/20 0.31
HDAC1 Q13547 1/20 0.31
HSPA5 P11021 1/20 0.31
NUDT1 P36639 1/20 0.31

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
SCHEMBL1339747 0.77 NPC1 (0.41) NPC1RAB9AKMT2ATBXAS1ALDH1A1
SCHEMBL905574 0.77 NPC1 (0.41) NPC1RAB9AKMT2ATBXAS1ALDH1A1
SCHEMBL2321138 0.76
SCHEMBL538187 0.75 NPC1 (0.39) NPC1RAB9AKMT2ATBXAS1ALDH1A1
Hydrochloric Acid SCHEMBL26916942 0.74 NPC1 (0.49) NPC1RAB9AKMT2ATBXAS1ALDH1A1
Hydrochloric Acid SCHEMBL26916941 0.74 NPC1 (0.49) NPC1RAB9AKMT2ATBXAS1ALDH1A1
SCHEMBL6809047 0.74 NPC1 (0.45) NPC1RAB9AKMT2ATBXAS1ALDH1A1
SCHEMBL7574578 0.72 NPC1 (0.46) NPC1RAB9AKMT2ATBXAS1ALDH1A1
Toluene SCHEMBL31547896 0.71 NPC1 (0.50) NPC1RAB9AKMT2AADRA2AADRA2B
SCHEMBL27352543 0.71

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164881-A1 USE OF SWELLABLE POLYMER FOR SEALING Evonik Röhm GmbH (DE) 2010-03-24 EP disclosed
WO-2009007154-A1 USE OF SWELLABLE POLYMER FOR SEALING EVONIK RÖHM GMBH (DE) 2009-01-15 WO disclosed
EP-0727205-B1 Thermoplastic coating and binder agent for pharmaceutical forms ROEHM GMBH (DE) 2001-05-30 EP disclosed
EP-0485840-B2 Pharmaceutical oral composition and coating agent containing a polysaccharide degradable in the colon ROEHM GMBH (DE) 1999-03-03 EP disclosed
EP-0727205-A2 Thermoplastic coating and binder agent for pharmaceutical forms RÖHM GMBH (DE) 1996-08-21 EP disclosed
EP-0376094-B1 PROCESS FOR HARDENING AN INJECTION AGENT RÖHM GMBH (DE) 1993-06-16 EP disclosed
EP-0542159-A1 Process for treating an aqueous pigment suspension with an aqueous binder agent RÖHM GMBH (DE) 1993-05-19 EP disclosed
EP-0417570-B1 AQUEOUS POLYACRYLAT-DISPERSION AS HOT-MELTING ADHESIVE RÖHM GMBH (DE) 1993-02-10 EP disclosed
EP-0417588-B1 PROCESS FOR THE PREPARATION OF A COMPLEXED DRUG RÖHM GMBH (DE) 1992-08-19 EP disclosed
EP-0485840-A2 Pharmaceutical oral composition and coating agent containing a polysaccharide degradable in the colon RÖHM GMBH (DE) 1992-05-20 EP disclosed
EP-0417570-A1 Aqueous polyacrylat-dispersion as hot-melting adhesive RÖHM GMBH (DE) 1991-03-20 EP disclosed
EP-0417588-A2 Process for the preparation of a complexed drug RÖHM GMBH (DE) 1991-03-20 EP disclosed
EP-0376094-A2 Process for hardening an injection agent RÖHM GMBH (DE) 1990-07-04 EP disclosed