SCHEMBL9224752

SCHEMBL9224752

CCCCCCc1ccc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)c(F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.55
RARA P10276 2/20 0.52
RARG P13631 1/20 0.52
GRM2 Q14416 1/20 0.43
S1PR1 P21453 3/20 0.42
S1PR3 Q99500 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
FAAH O00519 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL9227628 1.00 RARB (0.55) RARBRARARARGGRM2S1PR1
SCHEMBL9228254 1.00 RARB (0.55) RARBRARARARGGRM2S1PR1
SCHEMBL9228566 1.00 RARB (0.55) RARBRARARARGGRM2S1PR1
SCHEMBL9276680 0.99 RARB (0.53) RARBRARARARGGRM2S1PR1
SCHEMBL9226432 0.95 RARB (0.48) RARBRARARARGGRM2S1PR1
SCHEMBL9226256 0.94 RARB (0.53) RARBRARARARGGRM2S1PR1
SCHEMBL9226585 0.94 RARB (0.53) RARBRARARARGGRM2S1PR1
SCHEMBL9223543 0.93 RARB (0.51) RARBRARARARGGRM2S1PR1
SCHEMBL6059176 0.92 RARB (0.49) RARBRARARARGGRM2S1PR1
SCHEMBL6059406 0.92 RARB (0.49) RARBRARARARGGRM2S1PR1

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