SCHEMBL14766847

SCHEMBL14766847

CCOc1ccc(-c2ccc(C3CCC(CCc4ccc(OCC)c(F)c4)CC3)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.38
FFAR1 O14842 8/20 0.36
PPARD Q03181 7/20 0.36
PPARA Q07869 2/20 0.34
KDM1A O60341 2/20 0.33
PPARG P37231 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.32
SSTR5 P35346 1/20 0.32
KCNH2 Q12809 1/20 0.32
FPR2 P25090 1/20 0.32
NAAA Q02083 1/20 0.32

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
SCHEMBL14766500 0.94 FFAR4 (0.35) FFAR4FFAR1PPARDPPARAKCNH2
SCHEMBL12718441 0.94 CALM1 (0.37) FFAR4FFAR1PPARDPPARAKCNH2
SCHEMBL12739850 0.93 FFAR4 (0.38) FFAR4PPARDPPARAKDM1AFPR2
SCHEMBL12739863 0.92 FFAR4 (0.38) FFAR4KDM1ASSTR5FPR2NAAA
SCHEMBL12739852 0.92 FFAR4 (0.39) FFAR4PPARDPPARAKDM1AFPR2
SCHEMBL12739862 0.92 FFAR4 (0.39) FFAR4PPARDPPARAKDM1ASSTR5
SCHEMBL14766807 0.92 ALDH1A1 (0.35) FFAR4FFAR1PPARDPPARAPPARG
SCHEMBL14766425 0.91 S1PR1 (0.37) FFAR4FFAR1PPARDPPARAPPARG
SCHEMBL14766827 0.91 GABRA1 (0.32) FFAR4FFAR1PPARDPPARAPPARG
SCHEMBL12739854 0.90 FFAR4 (0.38) FFAR4KDM1A

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