SCHEMBL9764061

SCHEMBL9764061

CCCCc1ccc(-c2cc(F)c(F)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 0.55
RARG P13631 1/20 0.55
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
HTR2A P28223 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
MTOR P42345 1/20 0.44
KMT2A Q03164 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HSD11B1 P28845 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.41
NFKB1 P19838 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
SCHEMBL16258120 1.00 RARB (0.55) RARBRARARARGAKR1C2AKR1C1
SCHEMBL16258031 1.00 RARB (0.55) RARBRARARARGAKR1C2AKR1C1
SCHEMBL16258126 0.95 RARB (0.61) RARBRARARARGHSD17B10TSHR
SCHEMBL16258070 0.95 RARB (0.61) RARBRARARARGHSD17B10TSHR
SCHEMBL6558048 0.95 RARB (0.61) RARBRARARARGHSD17B10TSHR
SCHEMBL16488494 0.93 RARB (0.50) RARBRARARARGAKR1C2AKR1C1
SCHEMBL16104422 0.93 RARB (0.50) RARBRARARARGAKR1C2AKR1C1
SCHEMBL9763579 0.93 RARB (0.64) RARBRARARARGHSD17B10TSHR
SCHEMBL9763892 0.93 RARB (0.64) RARBRARARARGHSD17B10TSHR
SCHEMBL9763676 0.93 RARB (0.64) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160024383-A1 LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2016-01-28 US disclosed
US-20160024383-A1 LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2016-01-28 US disclosed
EP-2806011-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC Corporation (JP) 2014-11-26 EP disclosed
US-5032313-A Trifluorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1991-07-16 US disclosed
EP-0387032-A1 Trifluorobenzene derivatives and liquid crystal compositions containing the same Chisso Corporation (JP) 1990-09-12 EP disclosed