SCHEMBL9012284

SCHEMBL9012284

CC(=O)OC(C)CC(C)(C)C(=O)N=NCN1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.42
CMA1 P23946 11/20 0.40
PRSS1 P07477 3/20 0.37
XIAP P98170 4/20 0.36
PRSS2 P07478 1/20 0.35
PRSS3 P35030 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
SCHEMBL9012408 0.89 F2 (0.42) F2CMA1PRSS1XIAPPRSS2
SCHEMBL9011950 0.85 F2 (0.45) F2CMA1PRSS1XIAPPRSS2
SCHEMBL9012156 0.84 F2 (0.42) F2CMA1PRSS1PRSS2PRSS3
SCHEMBL9012012 0.84 F2 (0.42) F2CMA1PRSS1XIAPPRSS2
SCHEMBL9012142 0.83 F2 (0.44) F2CMA1PRSS1XIAPPRSS2
SCHEMBL9012149 0.83 F2 (0.44) F2CMA1PRSS1XIAPPRSS2
SCHEMBL9012329 0.82 F2 (0.43) F2CMA1PRSS1XIAPPRSS2
SCHEMBL9012429 0.82 F2 (0.43) F2CMA1PRSS1PRSS2PRSS3
SCHEMBL9012567 0.82 F2 (0.43) F2CMA1PRSS1XIAPPRSS2
SCHEMBL9012564 0.82 F2 (0.43) F2CMA1PRSS1XIAPPRSS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743320-A2 Acyl guanidine and amidine prodrugs BRISTOL-MYERS SQUIBB COMPANY (US) 1996-11-20 EP claimed
EP-0743320-A2 Acyl guanidine and amidine prodrugs BRISTOL-MYERS SQUIBB COMPANY (US) 1996-11-20 EP disclosed