SCHEMBL19650290

SCHEMBL19650290

C[C@H]1[C@H]2C[C@@H](OC(=O)ON3C(=O)CCC3=O)C[C@@H]12

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL12048372 0.87 CCNE1 (0.36) CCNE1CDK2GSK3B
SCHEMBL14731660 0.87 CCNE1 (0.36) CCNE1CDK2GSK3B
SCHEMBL14864657 0.87 CCNE1 (0.36) CCNE1CDK2GSK3B
SCHEMBL2353518 0.86 CCNE1 (0.36) CCNE1CDK2GSK3B
SCHEMBL15591345 0.83 CCNE1 (0.34) CCNE1CDK2GSK3B
SCHEMBL7875278 0.81 CCNE1 (0.36) CCNE1CDK2GSK3B
SCHEMBL8129220 0.81 CCNE1 (0.36) CCNE1CDK2GSK3B
SCHEMBL1128725 0.81 CCNE1 (0.36) CCNE1CDK2GSK3B
SCHEMBL2624001 0.81 CCNE1 (0.36) CCNE1CDK2GSK3B
SCHEMBL16575072 0.81 CCNE1 (0.36) CCNE1CDK2GSK3B

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
EP-2709613-B1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2017-11-29 EP disclosed