SCHEMBL26802170

SCHEMBL26802170

COc1ccc(C2=CCC(C3CCC(CC4CCCC4)CC3)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 15/20 0.34
CDK9 P50750 15/20 0.34
HTR2C P28335 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
SCHEMBL26802172 0.91 CCNT1 (0.35) CCNT1CDK9
SCHEMBL21609910 0.89 CCNT1 (0.35) CCNT1CDK9
SCHEMBL20888552 0.88 CCNT1 (0.35) CCNT1CDK9HTR2C
SCHEMBL17527762 0.88 CCNT1 (0.35) CCNT1CDK9
SCHEMBL18134231 0.86 CCNT1 (0.34) CCNT1CDK9
SCHEMBL23870519 0.86 CCNT1 (0.31) CCNT1CDK9
SCHEMBL26802978 0.85
SCHEMBL18388078 0.84 CCNT1 (0.34) CCNT1CDK9
SCHEMBL10035143 0.84 CCNT1 (0.34) CCNT1CDK9
SCHEMBL15256173 0.84 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-20230383186-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-30 US disclosed