SCHEMBL10544614

SCHEMBL10544614

CNC(=O)CC(NC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC1CNC1=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.65
▸ NAAA Q02083 7/20 0.52
▸ CTSK P43235 5/20 0.50
▸ CASP3 P42574 3/20 0.46
▸ CASP7 P55210 3/20 0.46
▸ CASP1 P29466 2/20 0.46
▸ CASP4 P49662 2/20 0.46
▸ ASAH1 Q13510 1/20 0.46
▸ CTSS P25774 3/20 0.46
▸ CASP9 P55211 2/20 0.45
▸ CASP10 Q92851 2/20 0.45
▸ CASP8 Q14790 1/20 0.45

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
SCHEMBL10541088 0.95 CTSL (0.65) CTSLNAAACTSKASAH1CTSS
SCHEMBL10545089 0.93 CTSL (0.65) CTSLNAAACTSKCASP1ASAH1
SCHEMBL10541442 0.87 CTSL (0.73) CTSLNAAACTSKASAH1CTSS
SCHEMBL10544611 0.85 CTSL (0.66) CTSLNAAACTSKCTSS
SCHEMBL10544954 0.82 CTSL (0.59) CTSLNAAACTSKASAH1CTSS
SCHEMBL10544718 0.81 CASP3 (0.47) CTSLCTSKCASP3CASP7CASP1
SCHEMBL7451896 0.79 CTSL (1.00) CTSLNAAACTSKCTSS
SCHEMBL7448502 0.79 CTSL (1.00) CTSLNAAACTSKCTSS
SCHEMBL10545254 0.79 CTSL (0.65) CTSLNAAACTSKCTSS
SCHEMBL11405493 0.79 CTSL (0.55) CTSLNAAACTSKASAH1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4822788-A MICROBIOCIDES, BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 — — US disclosed
US-4822790-A ANTIMICROBIOCIDES OR BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 — — US disclosed
US-4782147-A ANTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-01 — — US disclosed
US-4675397-A MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-06-23 — — US disclosed
US-4665067-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 — — US disclosed
US-4550105-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-29 — — US disclosed
EP-0021678-B1 1-SULPHO-2-OXOAZETIDINE DERIVATIVES, THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREOF Takeda Chemical Industries, Ltd. (JP) 1984-11-07 — — EP disclosed
EP-0021678-A1 1-Sulpho-2-oxoazetidine derivatives, their production and pharmaceutical compositions thereof Takeda Chemical Industries, Ltd. (JP) 1981-01-07 — — EP disclosed
Send feedback