SCHEMBL435192

SCHEMBL435192

COc1ccc(COC(=O)/C=C\c2ccc(OCc3ccc(OC)cc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.63
GSK3B P49841 3/20 0.62
BACE1 P56817 2/20 0.62
MAPT P10636 2/20 0.60
LMNA P02545 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
FFAR1 O14842 2/20 0.57
PPARG P37231 1/20 0.57
PPARD Q03181 1/20 0.57
PPARA Q07869 1/20 0.57
CA12 O43570 1/20 0.56
AKR1B10 O60218 1/20 0.56
AKR1B1 P15121 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA5A P35218 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
CA5B Q9Y2D0 1/20 0.56

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
SCHEMBL2239306 1.00 MAOB (0.63) MAOBGSK3BBACE1MAPTLMNA
SCHEMBL435193 1.00 MAOB (0.63) MAOBGSK3BBACE1MAPTLMNA
SCHEMBL839208 0.87 LMNA (0.75) MAOBGSK3BBACE1MAPTLMNA
SCHEMBL16689985 0.87 LMNA (0.75) MAOBGSK3BBACE1MAPTLMNA
SCHEMBL16689983 0.87 LMNA (0.75) MAOBGSK3BBACE1MAPTLMNA
SCHEMBL17603656 0.87 LMNA (0.75) MAOBGSK3BBACE1MAPTLMNA
SCHEMBL15239147 0.86 THRB (0.73) MAOBGSK3BBACE1FFAR1PPARG
SCHEMBL15239146 0.86 THRB (0.73) MAOBGSK3BBACE1FFAR1PPARG
SCHEMBL15687587 0.86 LMNA (0.77) MAOBGSK3BBACE1MAPTLMNA
SCHEMBL15687588 0.86 LMNA (0.77) MAOBGSK3BBACE1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595952-B1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-11-18 EP disclosed
EP-2595952-A1 AGONISTS OF GPR40 Connexios Life Sciences Pvt. Ltd. (IN) 2013-05-29 EP disclosed
WO-2012011125-A1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2012-01-26 WO disclosed