SCHEMBL12836546

SCHEMBL12836546

CCOc1ccc(-c2ccc(C3=CCC(OCc4ccc(OC)c(F)c4F)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 8/20 0.37
▸ CDK9 P50750 8/20 0.37
▸ NAAA Q02083 3/20 0.34
▸ FPR2 P25090 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 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
SCHEMBL15381754 0.96 NAAA (0.36) CCNT1CDK9NAAA
SCHEMBL11933215 0.91 CCNT1 (0.35) CCNT1CDK9NAAA
SCHEMBL15381641 0.91 NAAA (0.34) CCNT1CDK9NAAAKDM4EMAPT
SCHEMBL15381606 0.91 NAAA (0.34) CCNT1CDK9NAAAKDM4EMAPT
SCHEMBL11933312 0.91 CTSL (0.39) CCNT1CDK9NAAA
SCHEMBL11933313 0.91 CCNT1 (0.35) CCNT1CDK9NAAA
SCHEMBL11933213 0.91 CTSL (0.39) CCNT1CDK9NAAA
SCHEMBL11939014 0.90 NAAA (0.33) CCNT1CDK9NAAAKDM4E
SCHEMBL15381703 0.90 NAAA (0.33) CCNT1CDK9NAAA
SCHEMBL15381709 0.90 NAAA (0.33) CCNT1CDK9NAAA

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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