SCHEMBL8965462

SCHEMBL8965462

CCCOc1ccc(-c2ccc(-c3ccc(C4=CCC(C5CCC(CCC)CC5)CC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 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
SCHEMBL8965520 0.96 S1PR1 (0.33) CCNT1CDK9
SCHEMBL8965492 0.95 S1PR1 (0.31) CCNT1CDK9
SCHEMBL8965452 0.95 NAAA (0.33)
SCHEMBL8965479 0.94 PTPN11 (0.32)
SCHEMBL8965678 0.94 S1PR1 (0.30) CCNT1CDK9
SCHEMBL8965514 0.94 PTPN11 (0.32)
SCHEMBL8965497 0.94 PTPN11 (0.32)
SCHEMBL8965532 0.94 PTPN11 (0.32)
SCHEMBL8963651 0.94 CCNT1 (0.32) CCNT1CDK9
SCHEMBL8965891 0.93

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-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed