SCHEMBL2410449

SCHEMBL2410449

COc1ccc(CN(Cc2ccc(-c3ccc(O)c(OC(=O)O)c3)cc2)C(=O)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 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
SCHEMBL2410849 0.91 GABRA1 (0.49) MEN1KMT2AMAPTGABRA1GABRB2
SCHEMBL2412850 0.91 HPGD (0.53) RAB9AMAPTGABRA1GABRB2HPGD
SCHEMBL2413110 0.89 GABRA1 (0.47) GABRA1GABRB2HPGDALDH1A1
SCHEMBL2410446 0.87 RAB9A (0.51) RAB9AMEN1KMT2AGABRA1GABRB2
SCHEMBL2408993 0.86 HPGD (0.53) MAPTGABRA1GABRB2HPGDALDH1A1
SCHEMBL2416622 0.86 GABRA1 (0.45) GABRA1GABRB2HPGDALDH1A1
SCHEMBL2414418 0.85 HPGD (0.49) RAB9AGABRA1GABRB2HPGDNPC1
SCHEMBL2413426 0.80 NPC1 (0.46) RAB9AGABRA1GABRB2HPGDNPC1
SCHEMBL2414340 0.79 LPAR1 (0.55) KMT2AHPGDLMNAL3MBTL1SMN1; SMN2
SCHEMBL2411428 0.77 LPAR1 (0.49) KMT2AMAPTHPGDLMNASMN1; SMN2

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