SCHEMBL12836048

SCHEMBL12836048

CCCc1ccc(C2CCC(COc3ccc(-c4ccc(C5CO5)c(F)c4F)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ CNR2 P34972 10/20 0.34
▸ FEN1 P39748 4/20 0.33
▸ ALOX5AP P20292 3/20 0.33
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ FPR2 P25090 3/20 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
SCHEMBL12836511 1.00 CTSL (0.38) CTSLCTSSCTSKCNR2FEN1
SCHEMBL12224587 0.97 CTSL (0.36) CTSLCTSSCTSKCNR2FEN1
SCHEMBL13654132 0.96 CNR2 (0.34) CTSLCTSSCTSKCNR2FEN1
SCHEMBL11933177 0.91 CTSL (0.41) CTSLCTSSCTSKCNR2FEN1
SCHEMBL11933323 0.91 CTSL (0.41) CTSLCTSSCTSKCNR2FEN1
SCHEMBL12222888 0.90 CTSL (0.31) CTSLCTSSCTSK
SCHEMBL12224018 0.89 CTSL (0.34) CTSLCTSSCTSK
SCHEMBL12196874 0.88 CTSL (0.39) CTSLCTSSCTSKCNR2FEN1
SCHEMBL11939791 0.88 ALOX5AP (0.31) CNR2FEN1ALOX5AP
SCHEMBL12023590 0.87 CTSL (0.39) CTSLCTSSCTSKFPR2

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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