SCHEMBL9506178

SCHEMBL9506178

CC(C)(C)COCc1cccc(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.44
MAOA P21397 2/20 0.44
CYP19A1 P11511 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
TACR1 P25103 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
ACHE P22303 1/20 0.38
CYP3A4 P08684 3/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
IDO1 P14902 2/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 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
SCHEMBL17523553 0.84 ESR1 (0.39) TACR1KDM4EPOLBIDO1ALDH1A1
SCHEMBL366865 0.82 MAOB (0.56) MAOBMAOACYP19A1MRGPRX4CYP3A4
SCHEMBL9507161 0.82 MRGPRX4 (0.51) MAOBMAOACYP19A1MRGPRX4TACR1
SCHEMBL8011823 0.79 CYP3A4 (0.50) MAOBMAOACYP19A1MRGPRX4ACHE
SCHEMBL9504141 0.79 MRGPRX4 (0.46) MAOBMAOACYP19A1MRGPRX4TACR1
SCHEMBL18217412 0.79 MAOB (0.52) MAOBMAOACYP19A1MRGPRX4CYP3A4
SCHEMBL21291354 0.79 IDO1 (0.55) MAOBMAOAIDO1
SCHEMBL13301373 0.79 MRGPRX4 (0.43) MAOBMRGPRX4TACR1KDM4EPOLB
SCHEMBL3156299 0.79 IDO1 (0.43) MAOBKDM4EIDO1ALDH1A1TDP1
SCHEMBL18217409 0.78 MAOB (0.47) MAOBMAOACYP19A1MRGPRX4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279096-B1 BENZYL ETHER COMPOUND AND PROCESS FOR PRODUCING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-07-07 EP claimed
US-5001275-A Benzyl ether compound and process for producing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-03-19 US claimed
EP-0279096-B1 BENZYL ETHER COMPOUND AND PROCESS FOR PRODUCING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-07-07 EP disclosed
US-5001275-A Benzyl ether compound and process for producing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-03-19 US disclosed
EP-0279096-A2 Benzyl ether compound and process for producing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-08-24 EP disclosed