SCHEMBL10303165

SCHEMBL10303165

CCOc1ccc(C2CCC(COc3ccc(C(C)O)c(F)c3)CC2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 11/20 0.42
▸ ACACB O00763 2/20 0.38
▸ PPARD Q03181 2/20 0.38
▸ PARP10 Q53GL7 2/20 0.38
▸ PARP15 Q460N3 1/20 0.38
▸ ACACA Q13085 2/20 0.37

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
SCHEMBL10303255 0.90 FFAR1 (0.39) FFAR1ACACBPPARDPARP10PARP15
SCHEMBL10303240 0.89 FFAR1 (0.39) FFAR1ACACBPPARD
SCHEMBL10303279 0.89 FFAR1 (0.38) FFAR1ACACBPPARDPARP10PARP15
SCHEMBL13653969 0.88 FFAR1 (0.42) FFAR1ACACBPPARD
SCHEMBL10302846 0.87 CNR2 (0.40) FFAR1
SCHEMBL12223501 0.87 CNR2 (0.40) FFAR1
SCHEMBL12823530 0.87 FFAR1 (0.45) FFAR1PPARDPARP10PARP15ACACA
SCHEMBL12907804 0.87 FFAR1 (0.41) FFAR1ACACBPARP10PARP15ACACA
SCHEMBL10302438 0.85 FFAR1 (0.43) FFAR1PPARDPARP10PARP15
SCHEMBL10303245 0.85 FFAR1 (0.43) FFAR1PPARDPARP10PARP15

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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