SCHEMBL13239286

SCHEMBL13239286

CCCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.50
RARA P10276 2/20 0.50
RARG P13631 1/20 0.50
TSHR P16473 1/20 0.39
HSD17B10 Q99714 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
HTR2A P28223 1/20 0.38
HSD11B1 P28845 1/20 0.37
FAAH O00519 1/20 0.37
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
GRM2 Q14416 1/20 0.35

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
SCHEMBL13239287 0.99 RARB (0.52) RARBRARARARGTSHRHSD17B10
SCHEMBL13239288 0.99 RARB (0.52) RARBRARARARGTSHRHSD17B10
SCHEMBL13239291 0.96 RARB (0.45) RARBRARARARGTSHRHSD17B10
SCHEMBL22606817 0.91 RARB (0.39) RARBRARARARGHSD17B10S1PR1
SCHEMBL13239284 0.91 RARB (0.39) RARBRARARARGHSD17B10S1PR1
SCHEMBL3166768 0.91 RARB (0.44) RARBRARARARGHSD11B1S1PR1
SCHEMBL12625584 0.90 RARB (0.43) RARBRARARARGTSHRHSD17B10
SCHEMBL3153626 0.90 RARB (0.46) RARBRARARARGHTR2AFAAH
SCHEMBL3173517 0.90 RARB (0.46) RARBRARARARGHTR2AFAAH
SCHEMBL12624841 0.89 RARB (0.42) RARBRARARARGTSHRHSD17B10

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
US-7754103-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2010-07-13 US disclosed
US-20090194738-A1 Liquid-crystalline medium MANABE ATSUTAKA 2009-08-06 US disclosed