SCHEMBL2413110

SCHEMBL2413110

O=C(O)Oc1cc(-c2ccc(CN(Cc3ccc(F)cc3)C(=O)c3ccc4c(c3)OCO4)cc2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
HTR5A P47898 1/20 0.45
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
BCHE P06276 1/20 0.40

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
SCHEMBL2412850 0.93 HPGD (0.53) GABRA1GABRB2HTR5AHPGDALDH1A1
SCHEMBL2410849 0.91 GABRA1 (0.49) GABRA1GABRB2HTR5AHPGDALDH1A1
SCHEMBL2410449 0.89 RAB9A (0.49) GABRA1GABRB2HPGDALDH1A1
SCHEMBL2416622 0.87 GABRA1 (0.45) GABRA1GABRB2HPGDALDH1A1USP2
SCHEMBL2414418 0.86 HPGD (0.49) GABRA1GABRB2HTR5AHPGDALDH1A1
SCHEMBL2408993 0.86 HPGD (0.53) GABRA1GABRB2HPGDALDH1A1
SCHEMBL14015153 0.86 GABRA1 (0.49) GABRA1GABRB2HTR5AHPGDALDH1A1
SCHEMBL2415460 0.83 ROCK1 (0.42)
SCHEMBL2413426 0.82 NPC1 (0.46) GABRA1GABRB2HPGDALDH1A1USP2
SCHEMBL2411428 0.79 LPAR1 (0.49) HPGDALDH1A1TSHRTDP1

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