SCHEMBL12836506

SCHEMBL12836506

CCCc1ccc(C(=O)OC2CC=C(c3ccc(-c4ccc(C5CO5)c(F)c4F)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 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
SCHEMBL12836800 1.00 CTSL (0.32) CTSLCTSSCTSK
SCHEMBL12224649 0.89 — —
SCHEMBL12836803 0.85 — —
SCHEMBL12836494 0.85 — —
SCHEMBL11933358 0.85 CTSL (0.37) CTSLCTSSCTSK
SCHEMBL11933265 0.85 CTSL (0.37) CTSLCTSSCTSK
SCHEMBL12836507 0.85 CCNT1 (0.34) —
SCHEMBL12836806 0.85 CCNT1 (0.34) —
SCHEMBL12836810 0.85 — —
SCHEMBL11939874 0.85 — —

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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