SCHEMBL8527299

SCHEMBL8527299

CCC(CCC(C)O)CC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
NPC1 O15118 2/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CES1 P23141 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL8530161 0.89 KMT2A (0.46) KMT2AMEN1NPC1TSHRALDH1A1
SCHEMBL207882 0.86 KMT2A (0.44) KMT2AMEN1NPC1TSHRALDH1A1
SCHEMBL965859 0.85 TSHR (0.52) KMT2AMEN1NPC1TSHRALDH1A1
SCHEMBL755941 0.84 TSHR (0.59) KMT2AMEN1NPC1TSHRALDH1A1
SCHEMBL8531770 0.84 PRSS1 (0.46) KMT2AMEN1NPC1TSHRALDH1A1
Hydrochloric Acid SCHEMBL29091991 0.83 TSHR (0.57) KMT2AMEN1NPC1TSHRALDH1A1
SCHEMBL14159304 0.81 PRSS1 (0.55) KMT2AMEN1NPC1TSHRALDH1A1
SCHEMBL27825982 0.80 TSHR (0.53) KMT2AMEN1NPC1TSHRALDH1A1
SCHEMBL2026600 0.79 TSHR (0.61) KMT2AMEN1NPC1TSHRALDH1A1
SCHEMBL2949251 0.79 TSHR (0.61) KMT2AMEN1NPC1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706510-B1 OXIMATION PROCESS HENKEL CORP (US) 1998-10-28 EP claimed
EP-0706510-A1 OXIMATION PROCESS HENKEL CORPORATION (US) 1996-04-17 EP claimed
EP-0706510-A4 OXIMATION PROCESS HENKEL CORP (US) 1996-02-19 EP claimed
US-5488161-A REACTION OF KETONE OR ALDEHYDE WITH HYDROXYLAMINE IN THE PRESENCE OF PHASE TRANSFER CATALYST, ALKYLPHENOL AND CARBOXY ACID OR BASE HENKEL CORPORATION (US) 1996-01-30 US claimed
WO-1995001957-A1 OXIMATION PROCESS HENKEL CORPORATION (US) 1995-01-19 WO claimed
EP-0706510-B1 OXIMATION PROCESS HENKEL CORP (US) 1998-10-28 EP disclosed
EP-0706510-A1 OXIMATION PROCESS HENKEL CORPORATION (US) 1996-04-17 EP disclosed
EP-0706510-A4 OXIMATION PROCESS HENKEL CORP (US) 1996-02-19 EP disclosed
US-5488161-A REACTION OF KETONE OR ALDEHYDE WITH HYDROXYLAMINE IN THE PRESENCE OF PHASE TRANSFER CATALYST, ALKYLPHENOL AND CARBOXY ACID OR BASE HENKEL CORPORATION (US) 1996-01-30 US disclosed
WO-1995001957-A1 OXIMATION PROCESS HENKEL CORPORATION (US) 1995-01-19 WO disclosed
WO-1993016204-A2 PROCESS AND APPARATUS FOR EXTRACTING SOLUTES FROM THEIR AQUEOUS SOLUTIONS COGNIS, INC. (US) 1993-08-19 WO disclosed