SCHEMBL12836672

SCHEMBL12836672

CCC(O)c1ccc(OC(=O)C2CC=C(c3ccc(-c4ccc(C5CO5)c(F)c4F)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.30
▸ CDK9 P50750 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
SCHEMBL12224034 0.96 — —
SCHEMBL11939848 0.94 — —
SCHEMBL11939970 0.94 — —
SCHEMBL11943728 0.91 PIM1 (0.33) —
SCHEMBL11939087 0.89 CDK9 (0.34) CCNT1CDK9
SCHEMBL11939183 0.89 CDK9 (0.34) CCNT1CDK9
SCHEMBL12836687 0.86 CCNT1 (0.35) CCNT1CDK9
SCHEMBL12836685 0.85 PDE5A (0.32) —
SCHEMBL12836688 0.85 — —
SCHEMBL12836561 0.85 HPGD (0.33) —

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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