SCHEMBL9829430

SCHEMBL9829430

C[C@H](NC(=O)c1ccc(N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
CA2 P00918 3/20 0.58
CA1 P00915 2/20 0.57
PTPN1 P18031 2/20 0.56
MME P08473 5/20 0.52
ACE P12821 4/20 0.52
CPA1 P15085 2/20 0.52
ACE2 Q9BYF1 2/20 0.52
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL9829407 1.00 NPC1 (0.66) NPC1RAB9ACA2CA1PTPN1
SCHEMBL9829719 0.91 ACE (0.60) CA2CA1PTPN1MMEACE
SCHEMBL9829713 0.91 ACE (0.60) CA2CA1PTPN1MMEACE
SCHEMBL10954969 0.90 MME (0.61) NPC1RAB9ACA2CA1PTPN1
SCHEMBL9829550 0.89 MME (0.58) CA2CA1PTPN1MMEACE
SCHEMBL10662340 0.89 PTPN1 (0.57) CA2CA1PTPN1MMEACE
SCHEMBL9829553 0.89 MME (0.58) CA2CA1PTPN1MMEACE
SCHEMBL10662333 0.89 PTPN1 (0.57) CA2CA1PTPN1MMEACE
SCHEMBL7442309 0.88 CA2 (0.71) NPC1RAB9ACA2CA1PTPN1
SCHEMBL7442291 0.88 CA2 (0.71) NPC1RAB9ACA2CA1PTPN1

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