SCHEMBL2408993

SCHEMBL2408993

CCCCCN(Cc1ccc(-c2ccc(O)c(OC(=O)O)c2)cc1)C(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
GABRA1 P14867 1/20 0.53
GABRB2 P47870 1/20 0.53
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL2410849 0.88 GABRA1 (0.49) HPGDGABRA1GABRB2ALDH1A1MAPT
SCHEMBL2412850 0.87 HPGD (0.53) HPGDGABRA1GABRB2ALDH1A1MAPT
SCHEMBL2414418 0.87 HPGD (0.49) HPGDGABRA1GABRB2ALDH1A1
SCHEMBL2408990 0.87 HPGD (0.56) HPGDGABRA1GABRB2ALDH1A1MAPT
SCHEMBL2410449 0.86 RAB9A (0.49) HPGDGABRA1GABRB2ALDH1A1MAPT
SCHEMBL2413110 0.86 GABRA1 (0.47) HPGDGABRA1GABRB2ALDH1A1
SCHEMBL2416622 0.84 GABRA1 (0.45) HPGDGABRA1GABRB2ALDH1A1
SCHEMBL2413426 0.79 NPC1 (0.46) HPGDGABRA1GABRB2ALDH1A1
SCHEMBL6784969 0.75
SCHEMBL2410847 0.73 GABRA1 (0.52) HPGDGABRA1GABRB2ALDH1A1

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-1828107-B1 HYDROXYBIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2011-09-28 EP disclosed
EP-1828107-A1 HYDROXYBIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE Sanofi-Aventis Deutschland GmbH (DE) 2007-09-05 EP disclosed
WO-2006063697-A1 HYDROXYBIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-06-22 WO disclosed