SCHEMBL14766733

SCHEMBL14766733

CCCCOc1ccc(-c2ccc(C3CCC(COc4ccc(OCC)c(F)c4)CC3)c(F)c2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.42
PPARD Q03181 9/20 0.42
FFAR4 Q5NUL3 4/20 0.39
PPARA Q07869 1/20 0.37
SSTR5 P35346 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM1A O60341 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL14767084 0.96 FFAR1 (0.41) FFAR1PPARDFFAR4PPARAPDE4D
SCHEMBL14766762 0.96 FFAR1 (0.44) FFAR1PPARDFFAR4PPARAKDM1A
SCHEMBL14766560 0.95 FFAR1 (0.42) FFAR1PPARDFFAR4PPARAKDM1A
SCHEMBL14766677 0.94 FFAR1 (0.42) FFAR1PPARDFFAR4PPARAKDM1A
SCHEMBL14767078 0.94 FFAR1 (0.45) FFAR1PPARDFFAR4PPARASSTR5
SCHEMBL14767042 0.93 FFAR1 (0.41) FFAR1PPARDFFAR4PPARAKDM1A
SCHEMBL14767057 0.91 FFAR1 (0.39) FFAR1PPARDFFAR4PPARAKDM1A
SCHEMBL429829 0.91 SSTR5 (0.37) FFAR1PPARDFFAR4SSTR5KCNH2
SCHEMBL14765746 0.91 ALOX5AP (0.36) FFAR1FFAR4SSTR5KCNH2
SCHEMBL14766561 0.91 FFAR1 (0.43) FFAR1PPARDFFAR4PPARASSTR5

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