SCHEMBL7436209

SCHEMBL7436209

COc1ccc(CC(NC(=O)OCc2ccccc2)C(O)C(=O)N[C@@H](CC(C)C)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.62
CTSL P07711 2/20 0.62
CTSS P25774 2/20 0.62
MME P08473 1/20 0.55
ECE1 P42892 1/20 0.55
CAPN1 P07384 2/20 0.54
ATM Q13315 1/20 0.53
MMP1 P03956 3/20 0.52
CTSD P07339 1/20 0.52

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
SCHEMBL7436214 1.00 CTSK (0.62) CTSKCTSLCTSSMMEECE1
SCHEMBL7434549 0.94 CTSK (0.62) CTSKCTSLCTSSCAPN1ATM
SCHEMBL7434546 0.94 CTSK (0.62) CTSKCTSLCTSSCAPN1ATM
SCHEMBL7438354 0.93 MME (0.62) CTSKCTSLCTSSMMEECE1
SCHEMBL7438341 0.93 MME (0.62) CTSKCTSLCTSSMMEECE1
SCHEMBL7430795 0.91 MME (0.54) CTSKCTSLCTSSMMEECE1
SCHEMBL7436684 0.91 MME (0.58) CTSKCTSLMMEECE1CAPN1
SCHEMBL7442432 0.91 CTSK (0.51) CTSKCTSLCTSSMMEECE1
SCHEMBL7427743 0.89 MME (0.56) CTSKCTSSMMEECE1CAPN1
SCHEMBL9509483 0.89 MME (0.55) CTSKCTSLCTSSMMEECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4453003-A ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS UMEZAWA HAMAO (JP) 1984-06-05 US disclosed
US-4391986-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediates therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-07-05 US disclosed
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 US disclosed