SCHEMBL10546644

SCHEMBL10546644

CCCCCCCCN1CCN(C(=O)NC([C]=O)c2cccs2)C(=O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ TSHR P16473 4/20 0.34
▸ TP53 P04637 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ PLA2G2A P14555 1/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL10769861 0.99 ALDH1A1 (0.39) ALDH1A1TSHRTP53KMT2AGAA
SCHEMBL9347501 0.88 HDAC1 (0.41) ALDH1A1TSHRTP53KMT2AGAA
SCHEMBL10721545 0.85 ALDH1A1 (0.39) ALDH1A1TSHRTP53KMT2AGAA
SCHEMBL10543701 0.85 ALDH1A1 (0.39) ALDH1A1TSHRTP53KMT2AGAA
SCHEMBL10721549 0.84 ALDH1A1 (0.38) ALDH1A1TSHRTP53KMT2AGAA
SCHEMBL10643935 0.84 ALDH1A1 (0.39) ALDH1A1TSHRTP53KMT2AGAA
SCHEMBL10545030 0.84 PKM (0.41) ALDH1A1TP53KMT2AOPRM1OPRL1
SCHEMBL10547320 0.84 PKM (0.41) ALDH1A1TP53KMT2AOPRM1OPRL1
SCHEMBL10643944 0.83 ALDH1A1 (0.39) ALDH1A1TSHRTP53KMT2AGAA
SCHEMBL10770025 0.83 HDAC1 (0.38) ALDH1A1TSHRKMT2AGAAOPRM1

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 18 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
EP-0164122-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-12-11 — — EP disclosed
US-4550105-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-29 — — US disclosed
EP-0135683-A1 Method for production of cephalosporin compounds Takeda Chemical Industries, Ltd. (JP) 1985-04-03 — — EP disclosed
EP-0095764-A2 2-Oxoazetidinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-12-07 — — EP disclosed
EP-0093376-A2 1-Sulfo-2-azetidinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-11-09 — — EP disclosed
EP-0074611-A2 Method for production of cephalosporin compounds Takeda Chemical Industries, Ltd. (JP) 1983-03-23 — — EP disclosed
EP-0053815-A1 2-Oxoazetidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-16 — — EP disclosed
EP-0053816-A1 1-Sulfo-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-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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