SCHEMBL10367171

SCHEMBL10367171

COc1ccccc1C1CC(N)C(O)c2ccccc2O1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.43
CYP19A1 P11511 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2B P41595 1/20 0.43
CYP3A4 P08684 1/20 0.40
NR3C1 P04150 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ADRA1A P35348 1/20 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
SCHEMBL10574485 0.82 TAAR1 (0.40) HTR2CHTR2AHTR2BALDH1A1
SCHEMBL10367170 0.82 MAOB (0.48) CYP19A1CYP3A4KDM4E
SCHEMBL10366996 0.80 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10365622 0.79 CFTR (0.40) HTR2CHTR2AHTR2B
SCHEMBL10366584 0.79 MAOB (0.41) HTR2CCYP19A1CYP3A4KDM4EHPGD
SCHEMBL10574481 0.77 MAOB (0.45) CYP19A1CYP3A4
SCHEMBL9379992 0.77 CYP19A1 (0.36) CYP19A1KDM4EALDH1A1HSD17B10
SCHEMBL10365195 0.75 KDM4E (0.46) CYP19A1CYP3A4KDM4EALDH1A1HPGD
SCHEMBL10366995 0.75 MEN1 (0.44) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL10365621 0.74 RET (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0250265-B1 2-PHENYLBENZOXEPIN DERIVATIVE SUNTORY LIMITED (JP) 1990-09-05 EP disclosed
US-4845094-A HYPOGLYCEMIC, ANTICOAGULANT SUNTORY LIMITED (JP) 1989-07-04 US disclosed
EP-0250265-A1 2-Phenylbenzoxepin derivative SUNTORY LIMITED (JP) 1987-12-23 EP disclosed