SCHEMBL14766503

SCHEMBL14766503

C=CCOc1ccc(/C=C/C2CCC(c3ccc(-c4ccc(OCC)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 1/20 0.34
TUBB1 Q9H4B7 1/20 0.32
FFAR1 O14842 3/20 0.32
PPARD Q03181 3/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
FFAR4 Q5NUL3 1/20 0.30
LMNA P02545 2/20 0.30
TNFRSF1A P19438 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL14766562 0.93 TUBB1 (0.38) TUBB1FFAR1PPARDPPARGPPARA
SCHEMBL14766331 0.92 MEN1 (0.32) TUBB1FFAR1PPARDPPARGPPARA
SCHEMBL12739259 0.91 HTR2C (0.32) GYS1HTR2CHTR2B
SCHEMBL12739236 0.89 TUBB1 (0.37) TUBB1TNFRSF1AKDM4E
SCHEMBL14766791 0.88 TUBB1 (0.35) TUBB1FFAR1PPARDPPARGPPARA
SCHEMBL13586272 0.88 TUBB1 (0.41) TUBB1FFAR1PPARDPPARGPPARA
SCHEMBL14765699 0.88 GYS1 (0.31) GYS1HTR2CHTR2BLMNANPC1
SCHEMBL14766316 0.88 GYS1 (0.31) GYS1HTR2CHTR2BLMNANPC1
SCHEMBL14766371 0.88 MEN1 (0.33) FFAR4
SCHEMBL12718114 0.87 GYS1 (0.31) GYS1HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed