SCHEMBL9016239

SCHEMBL9016239

CCCCOC1CC=C(c2ccc(-c3ccc(-c4ccc(O)c(F)c4F)cc3)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
ESR2 Q92731 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL1574950 0.96 CCNT1 (0.34) CCNT1CDK9
SCHEMBL8939271 0.87 CCNT1 (0.38) CCNT1CDK9
SCHEMBL8939261 0.86 CCNT1 (0.41) CCNT1CDK9
SCHEMBL8932708 0.86 CCNT1 (0.37) CCNT1CDK9
SCHEMBL8939277 0.85 CCNT1 (0.37) CCNT1CDK9
SCHEMBL8939274 0.85 CCNT1 (0.37) CCNT1CDK9
SCHEMBL10152467 0.83 CCNT1 (0.31) CCNT1CDK9
SCHEMBL1575061 0.82 CCNT1 (0.33) CCNT1CDK9
SCHEMBL11917082 0.82 CCNT1 (0.33) CCNT1CDK9
SCHEMBL16072130 0.82 CCNT1 (0.33) CCNT1CDK9

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