SCHEMBL14766910

SCHEMBL14766910

CCOc1ccc(-c2ccc(-c3ccc(CCc4ccc(OCC)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 8/20 0.43
▸ FFAR4 Q5NUL3 7/20 0.43
▸ S1PR1 P21453 2/20 0.39
▸ S1PR3 Q99500 2/20 0.39
▸ NQO1 P15559 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ GPR84 Q9NQS5 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTGES O14684 1/20 0.36

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
SCHEMBL12740170 0.95 S1PR1 (0.39) FFAR1FFAR4S1PR1S1PR3RAB9A
SCHEMBL12740169 0.95 FFAR1 (0.39) FFAR1FFAR4S1PR1S1PR3RAB9A
SCHEMBL14766896 0.94 FFAR1 (0.47) FFAR1FFAR4S1PR1S1PR3RAB9A
SCHEMBL12740177 0.94 FFAR1 (0.41) FFAR1FFAR4S1PR1S1PR3GPR84
SCHEMBL12718707 0.94 LMNA (0.43) FFAR1FFAR4RAB9ANPC1ALDH1A1
SCHEMBL12740178 0.94 FFAR1 (0.44) FFAR1FFAR4S1PR1S1PR3RAB9A
SCHEMBL14766015 0.94 FFAR4 (0.41) FFAR1FFAR4S1PR1S1PR3NQO1
SCHEMBL12740171 0.91 MAPT (0.46) FFAR1FFAR4S1PR1S1PR3RAB9A
SCHEMBL14766658 0.91 MAOB (0.39) FFAR1FFAR4S1PR1S1PR3RAB9A
SCHEMBL14766905 0.90 S1PR1 (0.48) FFAR1FFAR4S1PR1S1PR3ALDH1A1

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
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