SCHEMBL2414588

SCHEMBL2414588

COc1cccc(C(=O)N(Cc2ccc(-c3ccc(O)c(OC(=O)O)c3)cc2)Cc2ccccc2OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.48
LPAR5 Q9H1C0 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 5/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
STAT3 P40763 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B2 P37059 1/20 0.42
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL2414340 0.93 LPAR1 (0.55) LPAR1LPAR5KDM4EALDH1A1CYP1A2
SCHEMBL2411428 0.90 LPAR1 (0.49) LPAR1LPAR5ALDH1A1TSHRKMT2A
SCHEMBL2414586 0.88 LPAR1 (0.55) LPAR1LPAR5KDM4EALDH1A1CYP1A2
SCHEMBL2415567 0.87 MEN1 (0.43) LPAR1LPAR5KDM4EALDH1A1HTT
SCHEMBL2414646 0.79 LPAR1 (0.46) LPAR1LPAR5KDM4EALDH1A1TSHR
SCHEMBL2414338 0.79 LPAR1 (0.64) LPAR1LPAR5KDM4EALDH1A1CYP1A2
SCHEMBL2410449 0.77 RAB9A (0.49) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL2411426 0.77 LPAR1 (0.56) LPAR1LPAR5KDM4EALDH1A1CYP1A2
SCHEMBL2414650 0.76 HDAC1 (0.46) LPAR1LPAR5ALDH1A1TSHRMEN1
SCHEMBL14015155 0.76 LPAR1 (0.57) LPAR1LPAR5KDM4EALDH1A1CYP1A2

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