SCHEMBL14766019

SCHEMBL14766019

CCOc1ccc(C2CCC(COc3ccc(C4CCC(OCC)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.39
FFAR1 O14842 12/20 0.36
PPARD Q03181 3/20 0.35
HCRTR2 O43614 1/20 0.35
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
SCN9A Q15858 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL14766712 0.94 FFAR1 (0.40) GPR119FFAR1PPARD
SCHEMBL14766027 0.92 GPR119 (0.37) GPR119FFAR1PPARDHCRTR2SCN9A
SCHEMBL12823404 0.91 FFAR1 (0.40) GPR119FFAR1PPARDPARP15PARP10
SCHEMBL12735930 0.91 FFAR1 (0.37) FFAR1PPARDPARP15PARP10SCN9A
SCHEMBL12735931 0.90 SCN9A (0.43) FFAR1PPARDPARP15PARP10SCN9A
SCHEMBL14766700 0.90 FFAR1 (0.42) FFAR1PPARDPARP15PARP10
SCHEMBL14765777 0.90 PDE4D (0.35) GPR119FFAR1PPARDHCRTR2HTR2C
SCHEMBL12717333 0.89 FFAR1 (0.37) FFAR1PPARDPARP15PARP10SCN9A
SCHEMBL12735929 0.89 FFAR1 (0.39) FFAR1PPARDPARP15PARP10SCN9A
SCHEMBL14767045 0.89 HTR2A (0.36) GPR119HCRTR2SCN9AHTR2AHTR2C

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