SCHEMBL4601940

SCHEMBL4601940

C[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
GPR139 Q6DWJ6 1/20 0.49
NTSR1 P30989 1/20 0.48
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
MAPT P10636 1/20 0.44
NR4A1 P22736 1/20 0.44
PDPK1 O15530 1/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL4601943 1.00 CES2 (0.52) CES2CES1GPR139NTSR1GAA
SCHEMBL30076036 1.00 CES2 (0.52) CES2CES1GPR139NTSR1GAA
SCHEMBL17402248 0.93 CES2 (0.52) CES2CES1GAAL3MBTL1TDP1
SCHEMBL27853839 0.93 CES2 (0.52) CES2CES1GAAL3MBTL1TDP1
SCHEMBL17402270 0.90 CES2 (0.48) CES2CES1L3MBTL1ALOX15TSHR
SCHEMBL10894082 0.86 TDP1 (0.61) CES2CES1KDM4EL3MBTL1TDP1
SCHEMBL702447 0.86 TDP1 (0.61) CES2CES1KDM4EL3MBTL1TDP1
SCHEMBL9125050 0.83 LMNA (0.62) CES2CES1KDM4EL3MBTL1TDP1
SCHEMBL16162334 0.83 CES2 (0.53) CES2CES1KDM4EL3MBTL1TDP1
SCHEMBL28956932 0.83 PTGS2 (0.63) CES2CES1KDM4EL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1650286-B1 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element SEIMI CHEM KK (JP) 2008-04-30 EP disclosed
EP-1371712-B1 LIQUID-CRYSTAL COMPOSITION CONTAINING OPTICALLY ACTIVE COMPOUND AND LIQUID-CRYSTAL ELECTROOPTIC ELEMENT SEIMI CHEM KK (JP) 2007-04-11 EP disclosed
US-7108895-B2 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element SEIMI CHEMICAL CO., LTD. (JP) 2006-09-19 US disclosed
EP-1650284-A2 Liquid crystal composition containing an optical active compound and liquid crystal electro-optical element Seimi Chemical Co., Ltd. (JP) 2006-04-26 EP disclosed
EP-1650285-A2 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element Seimi Chemical Co., Ltd. (JP) 2006-04-26 EP disclosed
EP-1650286-A2 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element Seimi Chemical Co., Ltd. (JP) 2006-04-26 EP disclosed
US-20040079922-A1 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element SEIMI CHEMICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1371712-A1 LIQUID-CRYSTAL COMPOSITION CONTAINING OPTICALLY ACTIVE COMPOUND AND LIQUID-CRYSTAL ELECTROOPTIC ELEMENT Seimi Chemical Co., Ltd. (JP) 2003-12-17 EP disclosed