SCHEMBL9366389

SCHEMBL9366389

COc1ccc2cc(CCN3CC=C(c4cccc(C(F)(F)F)c4)CC3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.53
PPARA Q07869 3/20 0.53
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTR7 P34969 2/20 0.45
PARP1 P09874 2/20 0.45
HTR1A P08908 1/20 0.44
SIGMAR1 Q99720 2/20 0.44

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
Hydrochloric Acid SCHEMBL8742253 0.99 PPARG (0.53) PPARGPPARAMEN1KMT2AKDM4E
SCHEMBL4588155 0.91 PPARG (0.51) PPARGPPARAMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL8742634 0.91 PPARG (0.50) PPARGPPARAMEN1KMT2AKDM4E
SCHEMBL4588915 0.90 PPARG (0.55) PPARGPPARAMEN1KMT2AHTR7
Xaliproden SCHEMBL137094 0.89 SIGMAR1 (0.51) PPARGPPARAMEN1KMT2AKDM4E
Xaliproden SCHEMBL29377982 0.89 SIGMAR1 (0.51) PPARGPPARAMEN1KMT2AKDM4E
SCHEMBL9366593 0.88 PPARG (0.51) PPARGPPARAMEN1KMT2AKDM4E
SCHEMBL6589155 0.88 PPARG (0.50) PPARGPPARAMEN1KMT2AKDM4E
Xaliproden SCHEMBL29393004 0.88 SIGMAR1 (0.50) PPARGPPARAMEN1KMT2AKDM4E
Xaliproden SCHEMBL116721 0.88 SIGMAR1 (0.50) PPARGPPARAMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0458697-B1 N-substituted trifluoromethylphenyl tetrahydropyridines, process for their preparation, intermediates and pharmaceutical preparations containing them SANOFI ELF (FR) 1994-07-27 EP disclosed
EP-0458697-A1 N-substituted trifluoromethylphenyl tetrahydropyridines, process for their preparation, intermediates and pharmaceutical preparations containing them ELF SANOFI (FR) 1991-11-27 EP disclosed