SCHEMBL28389048

SCHEMBL28389048

CC(C)(C)NC(=O)OC1CN(C(=O)Nc2ncc(C3CCCCC3)s2)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 18/20 0.43
▸ CDK2 P24941 18/20 0.43
▸ CDK5 Q00535 15/20 0.43
▸ CDK5R1 Q15078 1/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GSK3B P49841 1/20 0.36

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
SCHEMBL28389553 0.84 CCNE1 (0.47) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL20883063 0.80 CCNE1 (0.43) CCNE1CDK2CDK5CDK5R1CNR2
SCHEMBL20877485 0.78 CCNE1 (0.52) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL20877304 0.75 CCNE1 (0.52) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL29381312 0.74 CCNE1 (0.48) CCNE1CDK2CDK5CDK5R1CNR2
SCHEMBL20877375 0.73 CCNE1 (0.47) CCNE1CDK2CDK5CDK5R1CNR2
SCHEMBL22522942 0.71 CCNE1 (0.47) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL20883053 0.71 CCNE1 (0.60) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL24514061 0.69 CCNE1 (0.42) CCNE1CDK2CDK5CDK5R1CNR2
SCHEMBL20877486 0.69 CCNE1 (0.45) CCNE1CDK2CDK5CDK5R1CNR2

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
CN-111148743-A Inhibition of ubiquitin-specific peptidase 30 福马治疗有限公司 2020-05-12 — — CN disclosed
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