SCHEMBL10543649

SCHEMBL10543649

CCCCCCCCN1CCN(C(=O)NC(C(=O)N[C@H]2C(=O)N[C@@H]2C(=O)OC)c2cccs2)C(=O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CCKBR P32239 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ SLC22A6 Q4U2R8 1/20 0.32
▸ SLC22A8 Q8TCC7 1/20 0.32
▸ SLC22A11 Q9NSA0 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ THRB P10828 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ PLA2G2A P14555 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
SCHEMBL10545736 1.00 OXTR (0.33) OXTRKMT2AMEN1CCKBRALDH1A1
SCHEMBL10544564 0.97 KMT2A (0.33) OXTRKMT2AMEN1CCKBRALDH1A1
SCHEMBL10545655 0.84 MEN1 (0.43) KMT2AMEN1CCKBRMAPTPDE3A
SCHEMBL10546563 0.83 NAAA (0.39) OXTRKMT2AMEN1CCKBRALDH1A1
SCHEMBL10545192 0.83 TDP1 (0.33) KMT2AMEN1CCKBRALDH1A1MAPT
SCHEMBL10544658 0.83 TDP1 (0.33) KMT2AMEN1CCKBRALDH1A1MAPT
SCHEMBL10541610 0.83 NAAA (0.37) OXTRKMT2AMEN1CCKBRALDH1A1
SCHEMBL10543701 0.80 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1GAATSHR
SCHEMBL10721545 0.80 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1GAATSHR
SCHEMBL10544688 0.80 TDP1 (0.34) KMT2AMEN1CCKBRALDH1A1MAPT

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 7 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-0053816-A1 1-Sulfo-2-oxoazetidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-16 — — EP disclosed
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