SCHEMBL7734190

SCHEMBL7734190

O=C1CCC2C1C2C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 4/20 0.54
FABP5 Q01469 4/20 0.54
TSHR P16473 1/20 0.47
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TLR4 O00206 1/20 0.43
HPGD P15428 1/20 0.43
FKBP1A P62942 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL7735194 1.00 FABP7 (0.54) FABP7FABP5TSHRCYP3A4CYP2C9
SCHEMBL7733042 1.00 FABP7 (0.54) FABP7FABP5TSHRCYP3A4CYP2C9
SCHEMBL7735221 0.86 NPC1 (0.43) TSHRCYP3A4HPGDALDH1A1NPC1
SCHEMBL7732999 0.86 MMP1 (0.39) FABP7FABP5CYP3A4CYP2C9CYP2C19
SCHEMBL7734167 0.86 MMP1 (0.39) FABP7FABP5CYP3A4CYP2C9CYP2C19
SCHEMBL7724406 0.86 HPGD (0.44) FABP7FABP5HPGDALDH1A1MAPK1
SCHEMBL7733012 0.86 NPC1 (0.43) TSHRCYP3A4HPGDALDH1A1NPC1
SCHEMBL7737008 0.86 HPGD (0.44) FABP7FABP5HPGDALDH1A1MAPK1
SCHEMBL7724277 0.86 NPC1 (0.43) TSHRCYP3A4HPGDALDH1A1NPC1
SCHEMBL7733023 0.86 NPC1 (0.43) TSHRCYP3A4HPGDALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407284-B1 CONTACTING WITH ENZYME; HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-18 US disclosed
EP-1046712-A2 Method of resolving 2-oxobicyclo (3.1.0) hexane-6-carboxylic acid derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-10-25 EP disclosed