SCHEMBL9716809

SCHEMBL9716809

NCCCC(NC(=O)c1ccc(N)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.54
CA1 P00915 4/20 0.50
ERAP2 Q6P179 4/20 0.50
LNPEP Q9UIQ6 4/20 0.50
ERAP1 Q9NZ08 2/20 0.50
C3AR1 Q16581 1/20 0.50
FPGS Q05932 5/20 0.49
DHFR P00374 3/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL9716814 1.00 CA2 (0.54) CA2CA1ERAP2LNPEPERAP1
SCHEMBL9716816 1.00 CA2 (0.54) CA2CA1ERAP2LNPEPERAP1
SCHEMBL9716715 0.95 ERAP2 (0.55) CA2CA1ERAP2LNPEPERAP1
SCHEMBL9716710 0.95 ERAP2 (0.55) CA2CA1ERAP2LNPEPERAP1
SCHEMBL31238118 0.91 CA2 (0.56) CA2CA1DHFR
SCHEMBL10374327 0.88 LNPEP (0.53) CA2CA1ERAP2LNPEPERAP1
SCHEMBL9716722 0.88 ERAP2 (0.55) CA2CA1ERAP2LNPEPERAP1
SCHEMBL9716717 0.88 ERAP2 (0.55) CA2CA1ERAP2LNPEPERAP1
SCHEMBL9716730 0.88 ERAP2 (0.55) CA2CA1ERAP2LNPEPERAP1
SCHEMBL1980150 0.88 ITGB3 (0.57) CA2CA1ERAP2LNPEPERAP1

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-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed