SCHEMBL9830575

SCHEMBL9830575

CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.62
▸ CTSK P43235 2/20 0.60
▸ CTSL P07711 2/20 0.60
▸ CTSB P07858 2/20 0.60
▸ MME P08473 2/20 0.60
▸ ECE1 P42892 2/20 0.60
▸ CTSS P25774 1/20 0.60
▸ TACR1 P25103 2/20 0.58
▸ REN P00797 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.56
▸ ALOX15 P16050 1/20 0.56

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
SCHEMBL1436898 1.00 CAPN1 (0.62) CAPN1CTSKCTSLCTSBMME
SCHEMBL4402534 0.96 CAPN1 (0.59) CAPN1CTSKCTSLCTSBMME
SCHEMBL4402523 0.96 CAPN1 (0.59) CAPN1CTSKCTSLCTSBMME
Carbon Dioxide SCHEMBL2254435 0.96 CTSK (0.60) CAPN1CTSKCTSLCTSBMME
SCHEMBL29576951 0.95 MME (0.63) CAPN1CTSKCTSLCTSBMME
SCHEMBL6379430 0.94 CAPN1 (0.65) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL16462972 0.93 PPARA (0.56) CAPN1CTSKCTSLCTSBMME
SCHEMBL31607495 0.93 CTSK (0.60) CAPN1CTSKCTSLCTSBMME
SCHEMBL16462974 0.93 PPARA (0.56) CAPN1CTSKCTSLCTSBMME
SCHEMBL9359914 0.92 CTSK (0.60) CAPN1CTSKCTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 — — EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 — — US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 — — EP disclosed
US-4341707-A CHEMICAL INTERMEDIATES; PEPTIDE SYNTHESIS Ogura, Haruo (JP) 1982-07-27 — — US disclosed
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