SCHEMBL12836557

SCHEMBL12836557

CCCC(O)c1ccc(C2CCC(OCc3ccc(-c4ccc(C5CO5)c(F)c4F)c(F)c3)CC2)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ TMEM97 Q5BJF2 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL11938866 0.90 ALOX5AP (0.33) ALOX5APFEN1DRD4TMEM97SIGMAR1
SCHEMBL12836552 0.89 DRD4 (0.32) ALOX5APFEN1DRD4TMEM97SIGMAR1
SCHEMBL12836548 0.88 — —
SCHEMBL12836540 0.88 — —
SCHEMBL12836554 0.86 NAAA (0.34) —
SCHEMBL12836677 0.86 — —
SCHEMBL12836811 0.86 — —
SCHEMBL12836542 0.86 — —
SCHEMBL12224004 0.85 — —
SCHEMBL12223474 0.85 HTR1A (0.31) —

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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