SCHEMBL9528836

SCHEMBL9528836

Cc1ccc2c(c1)OCc1ccccc1C2Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ALDH2 P05091 1/20 0.41
CYP19A1 P11511 1/20 0.36
MAPT P10636 1/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HRH1 P35367 2/20 0.35
MMP12 P39900 1/20 0.34
TBXA2R P21731 1/20 0.34
MAOB P27338 3/20 0.33
PRCP P42785 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL10881346 0.87 KMT2A (0.39) CYP19A1MAPTHTR2AHTR2CHRH1
SCHEMBL5400526 0.81 HTR2A (0.44) TERTHTR2AHTR2CHRH1MAOB
SCHEMBL9530007 0.81 NR3C2 (0.44) MAOBSLC6A2SLC6A4SLC6A3
SCHEMBL13681920 0.80 TERT (0.40) TERTALDH1A1ALDH2MAPTKMT2A
SCHEMBL7509154 0.74 KMT2A (0.42) MAPTHTR2AHTR2CHRH1MMP12
SCHEMBL11277012 0.74 HTR2B (0.40) TERTMAPTHTR2AHTR2CHRH1
SCHEMBL22193837 0.73 KMT2A (0.38) CYP19A1MAPTHTR2AHTR2CHRH1
SCHEMBL10879243 0.73 TBXA2R (0.47) HTR2AHTR2CHRH1TBXA2R
SCHEMBL11272147 0.72 MAOB (0.43) TERTMAPTHTR2AHTR2CHRH1
SCHEMBL10559305 0.71 DRD2 (0.42) CYP19A1MAPTHTR2AHTR2CHRH1

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-0269755-B1 DIBENZ b,e]OXEPIN DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON PHARMACEUTICAL CO (JP) 1993-11-18 EP disclosed
US-4889858-A ANTIHYPOXIC AGENTS, ANTICONVULSANTS, LIPID PEROXIDATION INHIBITORS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-12-26 US disclosed
EP-0269755-A1 DIBENZ b,e OXEPIN DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME AS ACTIVE INGREDIENT Dainippon Pharmaceutical Co., Ltd. (JP) 1988-06-08 EP disclosed