SCHEMBL14766331

SCHEMBL14766331

C=CCCOc1ccc(/C=C/C2CCC(c3ccc(-c4ccc(OCC)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
FFAR1 O14842 2/20 0.31
PPARD Q03181 2/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL14766612 0.94 SCN9A (0.31)
SCHEMBL14766371 0.93 MEN1 (0.33) MEN1KMT2APOLB
SCHEMBL14766503 0.92 GYS1 (0.34) TUBB1FFAR1PPARDPPARGPPARA
SCHEMBL14766562 0.92 TUBB1 (0.38) MEN1KMT2APOLBTUBB1FFAR1
SCHEMBL12739257 0.91
SCHEMBL12739261 0.88 TNFRSF1A (0.30)
SCHEMBL14766791 0.88 TUBB1 (0.35) MEN1KMT2APOLBTUBB1FFAR1
SCHEMBL14766482 0.88 AHR (0.33) MEN1KMT2APOLBFFAR1
SCHEMBL12823238 0.88
SCHEMBL14765919 0.87

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