SCHEMBL12836564

SCHEMBL12836564

CCOc1ccc(-c2ccc(C3=CCC(OCc4ccc(C(O)CC)c(F)c4F)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.32
▸ CCNT1 O60563 3/20 0.31
▸ CDK9 P50750 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
SCHEMBL11939883 1.00 NAAA (0.32) NAAACCNT1CDK9
SCHEMBL11939330 0.93 NAAA (0.31) NAAACCNT1CDK9
SCHEMBL11939243 0.93 NAAA (0.31) NAAACCNT1CDK9
SCHEMBL11939350 0.91 NAAA (0.32) NAAACCNT1CDK9
SCHEMBL15381754 0.90 NAAA (0.36) NAAACCNT1CDK9
SCHEMBL11939216 0.86 NAAA (0.33) NAAACCNT1CDK9
SCHEMBL11939014 0.86 NAAA (0.33) NAAACCNT1CDK9
SCHEMBL12222877 0.86 — —
SCHEMBL12836546 0.86 CCNT1 (0.37) NAAACCNT1CDK9
SCHEMBL12836804 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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