SCHEMBL14765898

SCHEMBL14765898

C=CCCOc1ccc(C2CCC(COc3ccc(C4CCC(OCC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.34
SCN9A Q15858 3/20 0.32
FFAR4 Q5NUL3 1/20 0.32
LRRK2 Q5S007 2/20 0.31
FPR2 P25090 1/20 0.31
ACACB O00763 1/20 0.30
GPR119 Q8TDV5 2/20 0.30
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
SGPL1 O95470 1/20 0.30
S1PR1 P21453 1/20 0.30

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
SCHEMBL14766301 0.94 SCN9A (0.33) KDM1ASCN9AFFAR4ACACB
SCHEMBL14765683 0.93 KDM1A (0.39) KDM1ASCN9A
SCHEMBL12735875 0.92 SCN9A (0.39) KDM1ASCN9AFFAR4FPR2HTR2A
SCHEMBL14765975 0.92 KDM1A (0.35) KDM1ASCN9AFPR2HTR2AHTR2C
SCHEMBL14766939 0.91 LRRK2 (0.33) SCN9ALRRK2ACACBHTR2AHTR2C
SCHEMBL14766031 0.91 LRRK2 (0.33) SCN9ALRRK2ACACBHTR2AHTR2C
SCHEMBL14765793 0.91 KDM1A (0.32) KDM1ASCN9AFFAR4
SCHEMBL14767211 0.90 FFAR1 (0.35) SCN9AFFAR4ACACB
SCHEMBL14766039 0.89 KDM1A (0.44) KDM1ASCN9ALRRK2FPR2GPR119
SCHEMBL14766708 0.89 FFAR1 (0.38) 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