Sugi Predict

Sugi Predict / Compounds / SCHEMBL9011966

SCHEMBL9011966

SCHEMBL9011966

Cc1ccccc1C(=O)OC(C)CC(C)(C)C(=O)/N=C(/N)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 6/20 0.41
▸ CMA1 P23946 7/20 0.39
▸ TMPRSS11D O60235 1/20 0.39
▸ PRSS1 P07477 4/20 0.38
▸ PRSS2 P07478 3/20 0.38
▸ PRSS3 P35030 3/20 0.38
▸ ACE P12821 2/20 0.37
▸ XIAP P98170 3/20 0.37
▸ CTRC Q99895 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
SCHEMBL9011976 1.00 F2 (0.41) F2CMA1TMPRSS11DPRSS1PRSS2
SCHEMBL9012264 0.93 CMA1 (0.43) F2CMA1TMPRSS11DPRSS1XIAP
SCHEMBL9012269 0.93 CMA1 (0.43) F2CMA1TMPRSS11DPRSS1XIAP
SCHEMBL9012142 0.91 F2 (0.44) F2CMA1TMPRSS11DPRSS1PRSS2
SCHEMBL9012149 0.91 F2 (0.44) F2CMA1TMPRSS11DPRSS1PRSS2
SCHEMBL9012567 0.91 F2 (0.43) F2CMA1TMPRSS11DPRSS1PRSS2
SCHEMBL9012564 0.91 F2 (0.43) F2CMA1TMPRSS11DPRSS1PRSS2
SCHEMBL9012392 0.90 F2 (0.43) F2CMA1TMPRSS11DPRSS1PRSS2
SCHEMBL9012186 0.89 F2 (0.42) F2CMA1TMPRSS11DPRSS1PRSS2
SCHEMBL9012171 0.89 F2 (0.42) F2CMA1TMPRSS11DPRSS1PRSS2

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