SCHEMBL9830757

SCHEMBL9830757

COc1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.67
CA1 P00915 2/20 0.67
ITGB2 P05107 3/20 0.61
ICAM1 P05362 3/20 0.61
ITGAL P20701 3/20 0.61
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
FNTA P49354 1/20 0.54
FNTB P49356 1/20 0.54
AGTR2 P50052 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.50
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP19A1 P11511 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
SLC6A5 Q9Y345 1/20 0.47

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
SCHEMBL10658536 0.87 CA1 (0.71) CA2CA1ITGB2ICAM1ITGAL
SCHEMBL9830755 0.87 CA1 (0.62) CA2CA1ITGB2ICAM1ITGAL
SCHEMBL12331113 0.86 CA2 (0.52) CA2CA1ITGB2ICAM1ITGAL
SCHEMBL4525493 0.85 CA1 (0.72) CA2CA1ITGB2ICAM1ITGAL
SCHEMBL19781406 0.84 CA1 (0.59) CA2CA1ITGB2ICAM1ITGAL
SCHEMBL9830947 0.82 MME (0.57) ITGB2ICAM1ITGALFNTAFNTB
SCHEMBL16673386 0.81 ITGB2 (0.51) CA2CA1ITGB2ICAM1ITGAL
SCHEMBL11158707 0.81 ITGB2 (0.58) CA2CA1ITGB2ICAM1ITGAL
SCHEMBL6806998 0.80 ITGB2 (0.62) CA2CA1ITGB2ICAM1ITGAL
SCHEMBL16673388 0.80 ITGB2 (0.49) CA2CA1ITGB2ICAM1ITGAL

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
CN-1036832-C Composition containing a penem or carbapenem artibiotic and the use of the same SANKYO CO (JP) 1997-12-31 CN claimed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP claimed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US claimed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP claimed
CN-86107574-A Compositions containing penem or carbapenem antibiotics and their use 1987-05-20 CN claimed
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