SCHEMBL14766770

SCHEMBL14766770

C=CCCOc1ccc(CCc2ccc(-c3ccc(-c4ccc(OCC)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 9/20 0.41
▸ FFAR4 Q5NUL3 6/20 0.41
▸ S1PR1 P21453 2/20 0.37
▸ S1PR3 Q99500 2/20 0.37
▸ GPR84 Q9NQS5 1/20 0.34
▸ PTGES O14684 1/20 0.33
▸ C3AR1 Q16581 1/20 0.33
▸ PPARD Q03181 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ RAB9A P51151 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
SCHEMBL14765764 0.95 S1PR1 (0.39) FFAR1FFAR4S1PR1S1PR3GPR84
SCHEMBL14767087 0.94 S1PR1 (0.43) FFAR1FFAR4S1PR1S1PR3C3AR1
SCHEMBL14766811 0.92 S1PR1 (0.43) FFAR1FFAR4S1PR1S1PR3C3AR1
SCHEMBL12740185 0.90 FFAR1 (0.40) FFAR1FFAR4S1PR1S1PR3
SCHEMBL14767167 0.89 FFAR1 (0.42) FFAR1FFAR4PPARDKDM4ENPC1
SCHEMBL14766658 0.89 MAOB (0.39) FFAR1FFAR4S1PR1S1PR3GPR84
SCHEMBL14766910 0.89 FFAR1 (0.43) FFAR1FFAR4S1PR1S1PR3GPR84
SCHEMBL14765871 0.89 S1PR1 (0.45) FFAR1FFAR4S1PR1S1PR3C3AR1
SCHEMBL14766896 0.88 FFAR1 (0.47) FFAR1FFAR4S1PR1S1PR3C3AR1
SCHEMBL14766597 0.87 CNR2 (0.36) FFAR1FFAR4GPR84CNR2GABRA1

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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