SCHEMBL11205971

SCHEMBL11205971

CCCCCC(C)(C)c1ccc(O)c(C(C)c2ccccc2C)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.56
CNR1 P21554 17/20 0.56
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
RORC P51449 1/20 0.42
GPR18 Q14330 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41

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
SCHEMBL11240232 0.82 CYP3A4 (0.43) CNR2CNR1ESR1ESR2RORC
SCHEMBL32679930 0.81 CNR1 (0.46) CNR2CNR1ESR1ESR2RORC
SCHEMBL11880441 0.80 RORC (0.65) CNR2CNR1RORC
SCHEMBL8071930 0.80 CNR2 (0.65) CNR2CNR1RORC
SCHEMBL9003502 0.79 RORC (0.63) CNR2CNR1RORC
SCHEMBL9355694 0.78 ESR1 (0.67) CNR2CNR1ESR1ESR2
SCHEMBL8061134 0.77 CNR2 (0.68) CNR2CNR1ESR1ESR2
SCHEMBL8654061 0.77 CNR2 (0.68) CNR2CNR1ESR1ESR2
SCHEMBL51093 0.74 RORC (0.57) CNR2CNR1ESR1ESR2RORC
SCHEMBL420915 0.74 CNR1 (0.64) CNR2CNR1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034836-B1 PROCESS FOR PREPARING NITROAZO BENZENES CIBA-GEIGY AG (CH) 1983-07-13 EP disclosed
EP-0006564-B1 2-(3.5-DISUBSTITUTED-2-HYDROXYPHENYL)-2H-BENZOTRIAZOLES AND STABILIZED COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1981-12-30 EP disclosed
EP-0034836-A1 Process for preparing nitroazo benzenes CIBA-GEIGY AG (CH) 1981-09-02 EP disclosed
EP-0006564-A2 2-(3.5-disubstituted-2-hydroxyphenyl)-2H-benzotriazoles and stabilized compositions containing them CIBA-GEIGY AG (CH) 1980-01-09 EP disclosed