SCHEMBL10303240

SCHEMBL10303240

CCCC(O)c1ccc(OCC2CCC(c3ccc(OCC)c(F)c3F)CC2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 11/20 0.39
▸ ACACB O00763 2/20 0.37
▸ PPARD Q03181 2/20 0.36
▸ SCN9A Q15858 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
SCHEMBL11939252 0.91 FFAR1 (0.38) FFAR1ACACBPPARD
SCHEMBL10303164 0.90 FFAR1 (0.35) FFAR1ACACBPPARD
SCHEMBL10303249 0.90 FFAR1 (0.39) FFAR1ACACB
SCHEMBL10303165 0.89 FFAR1 (0.42) FFAR1ACACBPPARD
SCHEMBL12907074 0.89 FFAR1 (0.38) FFAR1ACACB
SCHEMBL10303129 0.88 FFAR1 (0.39) FFAR1ACACB
SCHEMBL10302857 0.88 CNR2 (0.38) FFAR1SCN9A
SCHEMBL12223491 0.88 CNR2 (0.38) FFAR1SCN9A
SCHEMBL12823863 0.85 FFAR1 (0.42) FFAR1PPARD
SCHEMBL10091383 0.85 CNR2 (0.36) FFAR1SCN9A

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-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
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