SCHEMBL2416622

SCHEMBL2416622

O=C(O)Oc1cc(-c2ccc(CN(CC3CC3)C(=O)c3ccc4c(c3)OCO4)cc2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 2/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LPAR1 Q92633 4/20 0.41
LPAR5 Q9H1C0 4/20 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
SCHEMBL2412850 0.89 HPGD (0.53) GABRA1GABRB2USP2ALDH1A1TSHR
SCHEMBL2410849 0.87 GABRA1 (0.49) GABRA1GABRB2USP2ALDH1A1TSHR
SCHEMBL2413110 0.87 GABRA1 (0.47) GABRA1GABRB2USP2ALDH1A1TSHR
SCHEMBL2416620 0.86 GABRA1 (0.47) GABRA1GABRB2USP2ALDH1A1TSHR
SCHEMBL2410449 0.86 RAB9A (0.49) GABRA1GABRB2ALDH1A1HPGD
SCHEMBL2414418 0.85 HPGD (0.49) GABRA1GABRB2USP2ALDH1A1TSHR
SCHEMBL2408993 0.84 HPGD (0.53) GABRA1GABRB2ALDH1A1HPGD
SCHEMBL2413426 0.84 NPC1 (0.46) GABRA1GABRB2USP2ALDH1A1TSHR
SCHEMBL12320058 0.81 LPAR1 (0.51) GABRA1GABRB2HPGDLPAR1LPAR5
SCHEMBL2414935 0.75 LTB4R2 (0.42) ALDH1A1HDAC1HDAC6LPAR1LPAR5

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