SCHEMBL14922397

SCHEMBL14922397

CCCOc1ccc(C2CCC(C(=O)OC3CCC(C4CC=C(c5ccc(OCC)c(F)c5F)CC4)CC3)CC2)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 3/20 0.31
▸ CDK9 P50750 3/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL14922687 1.00 CCNT1 (0.31) CCNT1CDK9MEN1KMT2A
SCHEMBL14922606 0.96 MEN1 (0.32) CCNT1CDK9MEN1KMT2A
SCHEMBL14922681 0.96 MEN1 (0.32) CCNT1CDK9MEN1KMT2A
SCHEMBL14922682 0.96 CCNT1 (0.32) CCNT1CDK9
SCHEMBL14922602 0.96 CCNT1 (0.32) CCNT1CDK9
SCHEMBL14922629 0.94 SCN9A (0.32) CCNT1CDK9
SCHEMBL14922637 0.94 SCN9A (0.32) CCNT1CDK9
SCHEMBL12197471 0.92 CCNT1 (0.32) CCNT1CDK9
SCHEMBL12197443 0.92 CCNT1 (0.32) CCNT1CDK9
SCHEMBL12197442 0.91 CTSL (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
US-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 — — US disclosed
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