SCHEMBL999342

SCHEMBL999342

COc1cccc(/C=C/NC(=O)C(c2csc3ccc(Cl)cc23)P(=O)(O)OCOC(=O)OC(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 17/20 0.60
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
CTSG P08311 1/20 0.39
PRSS3 P35030 1/20 0.39
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL3135828 0.89 CMA1 (0.60) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3135809 0.89 CMA1 (0.60) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL997642 0.88 CMA1 (0.69) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3127647 0.88 CMA1 (0.69) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL997641 0.85 CMA1 (0.82) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL997639 0.85 CMA1 (0.82) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999031 0.84 CMA1 (0.55) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL1002098 0.84 CMA1 (0.51) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998840 0.84 CMA1 (0.52) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4135588 0.84 CMA1 (0.83) 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