SCHEMBL10546517

SCHEMBL10546517

CCN1CCN(C(=O)NCC(N)C(=O)NC([C]=O)c2ccccc2)C(=O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ CTSS P25774 3/20 0.34
▸ XIAP P98170 4/20 0.33
▸ POLB P06746 1/20 0.33
▸ CTSC P53634 2/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HDAC8 Q9BY41 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL8626971 0.86 POLB (0.38) HDAC1HDAC2CTSSPOLBGAA
SCHEMBL10546411 0.85 KMT2A (0.41) HDAC1HDAC2POLBGAAMEN1
SCHEMBL10545549 0.80 CTSS (0.38) CTSSPOLBCTSLCTSBGAA
SCHEMBL10544295 0.78 L3MBTL1 (0.36) HDAC1HDAC2POLBMEN1KMT2A
SCHEMBL10541118 0.77 PKM (0.39) POLBMEN1CNR1CNR2KMT2A
SCHEMBL10541152 0.77 CTSL (0.41) POLBCTSLMEN1KMT2A
SCHEMBL10404091 0.76 ALDH1A1 (0.37) HDAC1HDAC2CTSSPOLBGAA
SCHEMBL6875807 0.76 MAPT (0.39) HDAC1HDAC2POLBGAA
SCHEMBL10546806 0.76 HTT (0.43) CTSSEPHX2MEN1KMT2A
SCHEMBL10545030 0.76 PKM (0.41) MEN1CNR1CNR2KMT2A

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 15 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-4771045-A 2-oxozetidinone derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-13 — — US disclosed
US-4725591-A USED WITH AMINO ACID DERIVATIVE ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-02-16 — — 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-0053815-B1 2-OXOAZETIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1985-05-08 — — EP disclosed
EP-0095764-A2 2-Oxoazetidinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-12-07 — — EP disclosed
EP-0053815-A1 2-Oxoazetidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-16 — — EP disclosed
EP-0053387-A1 Method of preparing 1-sulfo-2-oxoazetidine derivatives and intermediates therefor Takeda Chemical Industries, Ltd. (JP) 1982-06-09 — — EP disclosed
EP-0050965-A1 Beta-lactamase inhibitory composition Takeda Chemical Industries, Ltd. (JP) 1982-05-05 — — EP disclosed
EP-0021676-A1 3-Methoxy-2-oxoazetidine derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1981-01-07 — — 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
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