SCHEMBL14766708

SCHEMBL14766708

C=CCCOc1ccc(OCC2CCC(c3ccc(C4CCC(OCC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.38
PPARD Q03181 8/20 0.38
PPARA Q07869 1/20 0.34
ACACB O00763 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33

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
SCHEMBL14767211 0.97 FFAR1 (0.35) FFAR1PPARDPPARAACACB
SCHEMBL14766703 0.94 FFAR1 (0.36) FFAR1PPARDPPARA
SCHEMBL14766432 0.93 FFAR1 (0.33) FFAR1PPARDACACB
SCHEMBL14767143 0.92 FFAR1 (0.36) FFAR1PPARDPPARA
SCHEMBL14767048 0.91 FFAR1 (0.38) FFAR1PPARDPPARA
SCHEMBL14767041 0.91 FFAR1 (0.34) FFAR1PPARDPPARAACACB
SCHEMBL12740659 0.90 FFAR1 (0.39) FFAR1PPARDPPARA
SCHEMBL14767004 0.89 FFAR1 (0.36) FFAR1PPARDPPARAACACB
SCHEMBL14766939 0.89 LRRK2 (0.33) ACACB
SCHEMBL14766031 0.89 LRRK2 (0.33) ACACB

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