SCHEMBL5245341

SCHEMBL5245341

CCOC(=O)C(Cl)(CCCc1c(C)cc(OC)c2[nH]c(=O)ccc12)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.36
CYP19A1 P11511 2/20 0.36
CNR2 P34972 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 4/20 0.33
EZH2 Q15910 2/20 0.33
TSHR P16473 1/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
TP53 P04637 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL5246509 0.95 NQO2 (0.37) NQO2CYP19A1CNR2KDM4EALDH1A1
SCHEMBL5248944 0.80 TDP1 (0.41) NQO2CYP19A1KDM4EALDH1A1HSD17B10
SCHEMBL5245883 0.79 NQO2 (0.39) NQO2CYP19A1KDM4EALDH1A1HSD17B10
SCHEMBL5245517 0.76 NQO2 (0.38) NQO2CYP19A1KDM4EALDH1A1HSD17B10
SCHEMBL5249840 0.74 NQO2 (0.39) NQO2CYP19A1KDM4EALDH1A1HSD17B10
SCHEMBL5247849 0.73 KDM4E (0.32) NQO2CYP19A1KDM4EALDH1A1HSD17B10
SCHEMBL5246630 0.72 NQO2 (0.40) NQO2CYP19A1KDM4EALDH1A1HSD17B10
SCHEMBL5245502 0.70 CA2 (0.42) NQO2CYP19A1ALDH1A1EZH2
SCHEMBL98476 0.69 ADRB2 (0.37) NQO2CYP19A1KDM4EALDH1A1HSD17B10
SCHEMBL8920575 0.63 HSD17B2 (0.52) KDM4EALDH1A1HSD17B10TP53HPGD

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