SCHEMBL10546563

SCHEMBL10546563

CCCCCCCCN1CCN(C(=O)NC(C(=O)NC2CNC2=O)c2cccs2)C(=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 6/20 0.39
▸ ASAH1 Q13510 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ SLC22A6 Q4U2R8 1/20 0.33
▸ SLC22A8 Q8TCC7 1/20 0.33
▸ SLC22A11 Q9NSA0 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CCKBR P32239 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ OXTR P30559 1/20 0.32
▸ TP53 P04637 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
SCHEMBL10541610 0.99 NAAA (0.37) NAAAASAH1ALDH1A1MAPTPDE3A
SCHEMBL11404443 0.90 MAPT (0.38) NAAAALDH1A1MAPTPDE3ASLC22A6
SCHEMBL10544136 0.90 MAPT (0.38) NAAAALDH1A1MAPTPDE3ASLC22A6
SCHEMBL10545073 0.86 MEN1 (0.42) NAAAASAH1MAPTPDE3ASLC22A6
SCHEMBL11065314 0.86 MEN1 (0.42) NAAAASAH1MAPTPDE3ASLC22A6
SCHEMBL10546201 0.85 MEN1 (0.43) NAAAASAH1MAPTPDE3ASLC22A6
SCHEMBL10542453 0.85 NAAA (0.36) NAAAASAH1ALDH1A1CTSLCCR2
SCHEMBL11291088 0.85 NAAA (0.36) NAAAASAH1ALDH1A1CTSLCCR2
SCHEMBL11289228 0.85 NAAA (0.36) NAAAASAH1ALDH1A1CTSLCCR2
SCHEMBL11398202 0.84 MAPT (0.44) NAAAASAH1MAPTPDE3ASLC22A6

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-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-0050965-A1 Beta-lactamase inhibitory composition Takeda Chemical Industries, Ltd. (JP) 1982-05-05 — — EP disclosed
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