SCHEMBL9340359

SCHEMBL9340359

CC(CC=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MAPK1 P28482 1/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
CYP2D6 P10635 2/20 0.37

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
SCHEMBL1125158 0.82 TAAR1 (0.52) CYP2C19HIF1ATAAR1HDAC3HDAC4
SCHEMBL23531115 0.82 KMT2A (0.43) CYP2C19HIF1ATAAR1HDAC3HDAC4
SCHEMBL5931186 0.78 ESR1 (0.52) KMT2AALDH1A1TSHRMEN1ESR1
SCHEMBL11648782 0.78 CYP2C19 (0.46) CYP2C19HIF1ATAAR1HDAC3HDAC4
SCHEMBL9340362 0.78 CYP2C19 (0.39) CYP2C19HIF1ATAAR1HDAC3HDAC4
SCHEMBL1591769 0.77 ALDH1A1 (0.52) CYP2C19HIF1ATAAR1MAPK1KMT2A
SCHEMBL6544164 0.76 ALDH1A1 (0.41) CYP2C19HIF1ATAAR1KMT2AALDH1A1
SCHEMBL440368 0.76 KIF11 (0.41) CYP2C19HIF1ATAAR1KMT2AALDH1A1
SCHEMBL14910874 0.76 TAAR1 (0.40) CYP2C19HIF1ATAAR1MAPK1KMT2A
SCHEMBL28605222 0.75 MAPK1 (0.39) CYP2C19HIF1ATAAR1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100584459-C The application of dehydroabietylamine thiourea catalyst in high antimer both hands control synthesizing chiral compound UNIV LANZHOU 2010-01-27 CN disclosed
CN-101318146-A Application of dehydroabietylamine thiourea catalyst in synthesizing chiral compound with high-antipodism both-hand control UNIV LANZHOU (CN) 2008-12-10 CN disclosed
EP-0294220-B1 Photopolymerizable composition HITACHI CHEMICAL CO LTD (JP) 1994-05-25 EP disclosed
US-5034429-A An unsaturated monomer, a photoinitiator and a benzene derivative for providing a cured film HITACHI CHEMICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0294220-A2 Photopolymerizable composition Hitachi Chemical Co., Ltd. (JP) 1988-12-07 EP disclosed