SCHEMBL13433242

SCHEMBL13433242

COc1ccc(-c2ccc(OC)c(C(=O)O)c2)cc1CNC(=O)c1cc(-c2ccccc2Cl)on1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.56
ALDH1A1 P00352 9/20 0.56
HSD17B10 Q99714 8/20 0.56
KDM4E B2RXH2 7/20 0.56
NPSR1 Q6W5P4 3/20 0.56
MAPT P10636 9/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
NPC1 O15118 4/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 3/20 0.51
GAA P10253 2/20 0.51
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL3418800 0.91 KMT2A (0.48) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL13433238 0.90 PPARG (0.58) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL13460772 0.87 HPGD (0.54) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL13461037 0.85 HPGD (0.52) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL3417177 0.81 PPARG (0.52) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL6865441 0.80 PPARA (0.45) HPGDALDH1A1KDM4EMAPTKMT2A
SCHEMBL6503265 0.78 HPGD (0.56) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL5037078 0.76 HPGD (0.51) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL5552687 0.76 HPGD (0.53) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL6887732 0.76 HPGD (0.51) HPGDALDH1A1HSD17B10KDM4ENPSR1

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
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed