SCHEMBL13083296

SCHEMBL13083296

Bc1ccc(-c2ccc(CCC)cc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.47
RARA P10276 1/20 0.47
RARG P13631 1/20 0.47
MCL1 Q07820 1/20 0.44
TAAR1 Q96RJ0 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOB P27338 2/20 0.39
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
CYP17A1 P05093 4/20 0.38
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 2/20 0.38
CYP21A2 P08686 1/20 0.37
KIF11 P52732 1/20 0.37
LPL P06858 1/20 0.36

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
SCHEMBL15870433 0.85 CYP17A1 (0.40) RARBRARARARGTAAR1TP53
SCHEMBL12820168 0.85 CNR1 (0.44) TAAR1NPC1RAB9ATP53PKM
SCHEMBL16258014 0.83 CYP17A1 (0.53) RARBRARARARGMCL1TAAR1
SCHEMBL16258048 0.83 CYP17A1 (0.53) RARBRARARARGMCL1TAAR1
SCHEMBL30466107 0.82 RARB (0.47) RARBRARARARGMCL1TAAR1
SCHEMBL8857916 0.82 RARB (0.47) RARBRARARARGMCL1TAAR1
SCHEMBL9329120 0.81 CYP17A1 (0.51) RARBRARARARGMCL1TAAR1
SCHEMBL7772878 0.81 RARB (0.46) RARBRARARARGMCL1TAAR1
SCHEMBL9512294 0.80 RARB (0.51) RARBRARARARGMCL1TAAR1
SCHEMBL9399833 0.80 RARB (0.48) RARBRARARARGMCL1TAAR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3135659-A1 LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-03-01 EP disclosed
WO-2015129540-A1 LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC株式会社 2015-09-03 WO disclosed
EP-2735599-B1 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORP (JP) 2015-04-29 EP disclosed
EP-2853523-A1 Process for producing fluorine-containing biaryl compound Daikin Industries, Ltd. (JP) 2015-04-01 EP disclosed
US-8283001-B2 Liquid crystal compound and process for production thereof, liquid crystal composition, and liquid crystal electrooptical element AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-10-09 US disclosed