SCHEMBL20206958

SCHEMBL20206958

CCc1coc(CC(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPPA P01160 2/20 0.38
MME P08473 2/20 0.38
ELANE P08246 1/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
ESR1 P03372 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
FBP1 P09467 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
SCHEMBL27959576 0.80 SORT1 (0.37) NPPAMMECCNE2CCNE1CDK2
SCHEMBL13827902 0.77 KDM4E (0.37) ELANENOS3NOS1NOS2
SCHEMBL20207720 0.76 NPPA (0.37) NPPAMMEESR1NOS3NOS1
SCHEMBL12120806 0.75 ELANE (0.34) ELANE
SCHEMBL24524637 0.75 CCNE2 (0.32) NPPAMMECCNE2CCNE1CDK2
SCHEMBL5541955 0.74
SCHEMBL2046063 0.74
SCHEMBL21325063 0.73 NPPA (0.36) NPPAMMEELANENOS3NOS1
SCHEMBL10271622 0.72 ESR1 (0.30) ESR1
SCHEMBL5535844 0.71 CCNE2 (0.34) NPPAMMECCNE2CCNE1CDK2

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-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed