SCHEMBL16258121

SCHEMBL16258121

CCCCc1ccc(-c2cc(F)c(-c3ccc(F)c(F)c3)c(F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.50
RARA P10276 2/20 0.50
RARG P13631 1/20 0.50
GCGR P47871 1/20 0.43
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
CYP17A1 P05093 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL18416777 1.00 RARB (0.50) RARBRARARARGGCGRAKR1C2
SCHEMBL18416778 0.95 RARB (0.56) RARBRARARARGGCGRCYP17A1
SCHEMBL16258054 0.95 RARB (0.56) RARBRARARARGGCGRCYP17A1
SCHEMBL16258034 0.90 CYP17A1 (0.44) RARBRARARARGGCGRCYP17A1
SCHEMBL18416779 0.90 CYP17A1 (0.44) RARBRARARARGGCGRCYP17A1
SCHEMBL16258012 0.90 RARB (0.59) RARBRARARARGAKR1C2AKR1C1
SCHEMBL16258119 0.90 RARB (0.59) RARBRARARARGAKR1C2AKR1C1
SCHEMBL3611490 0.90 RARB (0.59) RARBRARARARGAKR1C2AKR1C1
SCHEMBL16258038 0.90 RARB (0.48) RARBRARARARGGCGRCYP17A1
SCHEMBL9329602 0.88 RARB (0.57) RARBRARARARGAKR1C2AKR1C1

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
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