SCHEMBL5249840

SCHEMBL5249840

COc1cc(C)c(CCC(Cl)C(=O)O)c2ccc(=O)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 6/20 0.39
CYP19A1 P11511 4/20 0.38
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ADRB2 P07550 3/20 0.35
EZH2 Q15910 2/20 0.35
ADRB1 P08588 2/20 0.35
HPGD P15428 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
THRB P10828 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5245517 0.94 NQO2 (0.38) NQO2CYP19A1KDM4EHSD17B10ALDH1A1
SCHEMBL5246630 0.89 NQO2 (0.40) NQO2CYP19A1KDM4EHSD17B10ALDH1A1
SCHEMBL5245883 0.82 NQO2 (0.39) NQO2CYP19A1KDM4EHSD17B10ALDH1A1
SCHEMBL5248944 0.79 TDP1 (0.41) NQO2CYP19A1KDM4EHSD17B10ALDH1A1
SCHEMBL5246509 0.75 NQO2 (0.37) NQO2CYP19A1KDM4EHSD17B10ALDH1A1
SCHEMBL5245341 0.74 NQO2 (0.36) NQO2CYP19A1KDM4EHSD17B10ALDH1A1
SCHEMBL5247849 0.74 KDM4E (0.32) NQO2CYP19A1KDM4EHSD17B10ALDH1A1
SCHEMBL5245502 0.71 CA2 (0.42) NQO2CYP19A1ALDH1A1ADRB2EZH2
SCHEMBL25647634 0.65 NQO2 (0.53) NQO2CYP19A1KDM4EHSD17B10ALDH1A1
SCHEMBL14438072 0.65 NQO2 (0.61) NQO2CYP19A1KDM4EHSD17B10ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed