SCHEMBL13636907

SCHEMBL13636907

CCCc1ccc(-c2cc(F)c(C(F)F)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.42
RARA P10276 1/20 0.42
RARG P13631 1/20 0.42
MCL1 Q07820 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOB P27338 1/20 0.38
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CYP17A1 P05093 1/20 0.36
CYP21A2 P08686 1/20 0.36
CYP11B1 P15538 1/20 0.36
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
NISCH Q9Y2I1 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
SCHEMBL14341823 0.89 RARB (0.41) RARBRARARARGMCL1NPC1
SCHEMBL13368801 0.86 TAAR1 (0.36) RARBRARARARGTP53TAAR1
SCHEMBL16258127 0.82 RARB (0.46) RARBRARARARGMCL1NPC1
SCHEMBL14525745 0.82 RARB (0.46) RARBRARARARGMCL1NPC1
SCHEMBL9764255 0.82 RARB (0.46) RARBRARARARGMCL1NPC1
SCHEMBL16080727 0.80 RARB (0.45) RARBRARARARGMCL1NPC1
SCHEMBL19844721 0.80 RARB (0.45) RARBRARARARGMCL1NPC1
SCHEMBL13917685 0.80 MAOB (0.33) RARBRARARARGMAOBTAAR1
SCHEMBL16038459 0.79 MCL1 (0.49) RARBRARARARGMCL1NPC1
SCHEMBL30967294 0.79 NPC1 (0.48) RARBRARARARGMCL1NPC1

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-2348090-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2014-11-12 EP disclosed
EP-2123623-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2009-11-25 EP disclosed
EP-1908814-A1 Liquid crystal compositon and liquid crystal display device CHISSO CORPORATION (JP) 2008-04-09 EP disclosed