SCHEMBL4602516

SCHEMBL4602516

C[C@H](Cc1ccc(C(=O)Cl)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.49
ESR2 Q92731 1/20 0.49
ADRB3 P13945 2/20 0.45
ADRB1 P08588 1/20 0.45
NR3C2 P08235 1/20 0.44
GLRA1 P23415 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRK1 P41145 1/20 0.41
AKR1C3 P42330 3/20 0.41
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALB P02768 1/20 0.41
ALOX5 P09917 1/20 0.41
RARB P10826 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
SCHEMBL4602521 1.00 ESR1 (0.49) ESR1ESR2ADRB3ADRB1NR3C2
SCHEMBL7132950 0.91 ESR1 (0.58) ESR1ESR2ADRB3AKR1C3PTGS1
SCHEMBL4601885 0.86 ADRB1 (0.57) ESR1ESR2ADRB3ADRB1NR3C2
SCHEMBL4601882 0.86 ADRB1 (0.57) ESR1ESR2ADRB3ADRB1NR3C2
SCHEMBL7131607 0.86 PARP1 (0.41) ESR1ESR2ADRB3ADRB1PTGS1
SCHEMBL9069704 0.82 ESR1 (0.61) ESR1ESR2TAAR1
SCHEMBL7131604 0.80 ESR1 (0.41) ESR1ESR2NR3C2GLRA1TSHR
SCHEMBL23071510 0.79 ESR1 (0.52) ESR1ESR2ADRB3ADRB1NPC1
SCHEMBL11242012 0.79 ESR1 (0.60) ESR1ESR2ADRB3ADRB1AKR1C3
SCHEMBL1966513 0.78 CXCR1 (0.53) ESR1ADRB3AKR1C3PTGS1PTGS2

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-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
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-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
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