SCHEMBL13239287

SCHEMBL13239287

CCCCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.52
RARA P10276 2/20 0.52
RARG P13631 1/20 0.52
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTR2A P28223 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
FAAH O00519 1/20 0.39
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
SPHK2 Q9NRA0 1/20 0.37

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
SCHEMBL13239288 1.00 RARB (0.52) RARBRARARARGHSD17B10TSHR
SCHEMBL13239286 0.99 RARB (0.50) RARBRARARARGHSD17B10TSHR
SCHEMBL13239291 0.95 RARB (0.45) RARBRARARARGHSD17B10TSHR
SCHEMBL3153626 0.91 RARB (0.46) RARBRARARARGHTR2AFAAH
SCHEMBL3173517 0.91 RARB (0.46) RARBRARARARGHTR2AFAAH
SCHEMBL22606817 0.90 RARB (0.39) RARBRARARARGHSD17B10TP53
SCHEMBL13239284 0.90 RARB (0.39) RARBRARARARGHSD17B10TP53
SCHEMBL3166768 0.90 RARB (0.44) RARBRARARARGPTGS2HSD11B1
SCHEMBL12625584 0.89 RARB (0.43) RARBRARARARGHSD17B10TSHR
SCHEMBL12624841 0.88 RARB (0.42) RARBRARARARGHSD17B10TSHR

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