SCHEMBL9832280

SCHEMBL9832280

CC(C)CC(NC(=O)c1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.64
FOLH1 Q04609 1/20 0.62
CTSL P07711 1/20 0.61
PSMB5 P28074 2/20 0.60
MME P08473 2/20 0.57
PTPN1 P18031 1/20 0.57
CA2 P00918 2/20 0.56
CA1 P00915 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
SCHEMBL9832293 1.00 ACE (0.64) ACEFOLH1CTSLPSMB5MME
SCHEMBL8499364 0.94 ACE (0.57) ACEFOLH1CTSLPSMB5MME
SCHEMBL10656896 0.93 CTSL (0.70) ACECTSLPSMB5MMEPTPN1
SCHEMBL2735614 0.93 CTSL (0.70) ACECTSLPSMB5MMEPTPN1
SCHEMBL4364597 0.89 PTPN1 (0.64) ACECTSLMMEPTPN1CA2
SCHEMBL9830474 0.88 PSMB5 (0.72) FOLH1CTSLPSMB5MME
SCHEMBL9830466 0.88 PSMB5 (0.72) FOLH1CTSLPSMB5MME
SCHEMBL10953342 0.87 CA2 (0.60) CTSLPSMB5PTPN1CA2
SCHEMBL8520566 0.87 PTPN1 (0.72) ACECTSLMMEPTPN1CA2
SCHEMBL3497780 0.87 PTPN1 (0.72) ACECTSLMMEPTPN1CA2

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 3 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