SCHEMBL12836037

SCHEMBL12836037

CCCC(O)c1ccc(C2CCC(COc3ccc(-c4ccc(C5CO5)c(F)c4F)c(F)c3)CC2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 9/20 0.37
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ ACACA Q13085 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.32
▸ PARP15 Q460N3 1/20 0.32
▸ PARP10 Q53GL7 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
SCHEMBL12907074 0.91 FFAR1 (0.38) FFAR1PARP15PARP10
SCHEMBL11939252 0.90 FFAR1 (0.38) FFAR1ACACA
SCHEMBL10091417 0.90 FFAR1 (0.33) FFAR1FFAR4
SCHEMBL11939933 0.90 FFAR1 (0.40) FFAR1S1PR1S1PR3ACACAFFAR4
SCHEMBL12836038 0.88 CNR2 (0.33) —
SCHEMBL12836495 0.88 CNR2 (0.33) —
SCHEMBL12836500 0.86 FPR2 (0.31) —
SCHEMBL12836558 0.85 ACHE (0.30) —
SCHEMBL12907786 0.84 CNR2 (0.35) FFAR1
SCHEMBL12836677 0.84 — —

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
WO-2011033937-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2011-03-24 — — WO disclosed
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