SCHEMBL998914

SCHEMBL998914

CC(C)(C)C(=O)OCOP(=O)(O)C(C(=O)N/C=C/c1c(F)cccc1F)c1csc2ccc(Cl)cc12

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 17/20 0.55
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
CTSG P08311 1/20 0.40
PRSS3 P35030 1/20 0.40
PKM P14618 1/20 0.30

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
SCHEMBL4144836 0.93 CMA1 (0.53) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4144828 0.93 CMA1 (0.53) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL1000031 0.91 CMA1 (0.56) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998684 0.89 CMA1 (0.70) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998907 0.89 CMA1 (0.52) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL7900120 0.88 CMA1 (0.61) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998292 0.87 CMA1 (0.70) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998872 0.86 CMA1 (0.58) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999028 0.85 CMA1 (0.51) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999032 0.85 CMA1 (0.51) CMA1PRSS1PRSS2CTSGPRSS3

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
JP-2011500682-A 2011-01-06 JP claimed