SCHEMBL9220443

SCHEMBL9220443

CCCCCCCc1ccc(-c2ccc(-c3ccc(OC(F)F)cc3)cc2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.53
RARA P10276 2/20 0.44
RARG P13631 1/20 0.44
PPARA Q07869 2/20 0.40
BACE1 P56817 1/20 0.40
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GPR3 P46089 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MTOR P42345 1/20 0.38
KMT2A Q03164 1/20 0.38
FAAH O00519 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL9223682 1.00 RARB (0.53) RARBRARARARGPPARABACE1
SCHEMBL9225654 1.00 RARB (0.53) RARBRARARARGPPARABACE1
SCHEMBL9227228 1.00 RARB (0.53) RARBRARARARGPPARABACE1
SCHEMBL9219177 1.00 RARB (0.53) RARBRARARARGPPARABACE1
SCHEMBL9223504 0.99 RARB (0.51) RARBRARARARGPPARABACE1
SCHEMBL8990612 0.95 RARB (0.53) RARBRARARARGPPARABACE1
SCHEMBL9226880 0.95 RARB (0.46) RARBRARARARGPPARABACE1
SCHEMBL9223539 0.94 RARB (0.55) RARBRARARARGPPARAS1PR1
SCHEMBL9218941 0.94 RARB (0.55) RARBRARARARGPPARAS1PR1
SCHEMBL9228145 0.94 RARB (0.55) RARBRARARARGPPARAS1PR1

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-0413785-B1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS MERCK PATENT GMBH (DE) 1995-12-20 EP disclosed
EP-0413785-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS. MERCK PATENT GMBH (DE) 1991-02-27 EP disclosed
WO-1990009420-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-23 WO disclosed