SCHEMBL12320058

SCHEMBL12320058

COc1ccc(-c2ccc(CN(CC3CC3)C(=O)c3ccc4c(c3)OCO4)cc2)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.51
LPAR5 Q9H1C0 6/20 0.51
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
OXTR P30559 2/20 0.46
AVPR1A P37288 2/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL2416620 0.87 GABRA1 (0.47) LPAR1LPAR5GABRA1GABRB2OXTR
SCHEMBL2416622 0.81 GABRA1 (0.45) LPAR1LPAR5GABRA1GABRB2HPGD
SCHEMBL2410446 0.79 RAB9A (0.51) LPAR1GABRA1GABRB2HPGD
SCHEMBL2410847 0.78 GABRA1 (0.52) GABRA1GABRB2HPGD
SCHEMBL4601459 0.76 TSHR (0.60)
SCHEMBL2412849 0.76 HPGD (0.56) GABRA1GABRB2HPGD
SCHEMBL14015153 0.74 GABRA1 (0.49) GABRA1GABRB2HPGD
SCHEMBL2408990 0.73 HPGD (0.56) GABRA1GABRB2HPGD
SCHEMBL2410449 0.73 RAB9A (0.49) GABRA1GABRB2HPGD
SCHEMBL2414417 0.72 HPGD (0.52) LPAR1GABRA1GABRB2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828107-B1 HYDROXYBIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2011-09-28 EP disclosed