SCHEMBL8098734

SCHEMBL8098734

COc1cc2c(c3c1C(=O)Cc1ccccc1O3)OCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP19A1 P11511 1/20 0.38
NQO2 P16083 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HTR7 P34969 2/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CDK2 P24941 1/20 0.36
POLB P06746 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GSK3B P49841 2/20 0.36
ATR Q13535 1/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL7115393 0.81 MAOB (0.40) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL7115666 0.75 GAA (0.44) KMT2AMEN1KDM4ECYP19A1MAPT
SCHEMBL7115046 0.74 ABCG2 (0.52) KDM4EALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL4098612 0.72 HPGD (0.39) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL7108704 0.72 MAOA (0.46) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL7115413 0.70 CYP19A1 (0.39) KMT2AMEN1KDM4ECYP19A1MAPT
SCHEMBL7110728 0.69 PTGS2 (0.43) KMT2AMEN1KDM4ECYP2D6MAPT
SCHEMBL5758407 0.67 MAOB (0.53) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL9353238 0.66 CYP3A4 (0.46) KMT2AMEN1KDM4ECYP2D6CYP2C19
SCHEMBL7115723 0.66 ABCG2 (0.53) KDM4ECYP19A1MAPTALDH1A1TDP1

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
JP-2000044568-A INTERMEDIATE FOR DIBENZOXEPIN AND DIBENZOTHIEPINE DERIVATIVES HAVING PHYSIOLOGICAL ACTION NIPPON SUISAN KAISHA LTD 2000-02-15 JP disclosed