SCHEMBL13586373

SCHEMBL13586373

CCOc1ccc(/C=C/c2ccc(-c3ccc(C4CCC(C(C)O)CC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 2/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ ACACB O00763 1/20 0.31

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
SCHEMBL12821225 1.00 FPR2 (0.32) FPR2ALOX5APFEN1ACACB
SCHEMBL12823043 0.92 HTR2C (0.31) —
SCHEMBL12718979 0.92 HTR2C (0.31) —
SCHEMBL12718697 0.91 FPR2 (0.30) FPR2
SCHEMBL12822956 0.89 — —
SCHEMBL12822905 0.89 — —
SCHEMBL12821276 0.89 TUBB1 (0.34) —
SCHEMBL12739355 0.89 FPR2 (0.33) FPR2ALOX5APFEN1
SCHEMBL12734381 0.89 FPR2 (0.33) FPR2ALOX5APFEN1
SCHEMBL12739357 0.88 FPR2 (0.32) FPR2ALOX5APFEN1

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-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO disclosed
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