SCHEMBL9716692

SCHEMBL9716692

Cc1ccc(C(=O)N[C@@H](CCCCN)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.55
CA1 P00915 3/20 0.55
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
ERAP2 Q6P179 4/20 0.54
LNPEP Q9UIQ6 4/20 0.54
ERAP1 Q9NZ08 2/20 0.54
HPGDS O60760 1/20 0.51
ALB P02768 1/20 0.49
FOLH1 Q04609 1/20 0.49
CTSB P07858 1/20 0.48
C3AR1 Q16581 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
CASR P41180 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
SCHEMBL24518200 1.00 CA2 (0.55) CA2CA1CA12CA9ERAP2
SCHEMBL1767668 0.89 CA2 (0.55) CA2CA1CA12CA9ERAP2
SCHEMBL6815759 0.89 CA2 (0.55) CA2CA1CA12CA9ERAP2
SCHEMBL1767664 0.89 CA2 (0.55) CA2CA1CA12CA9ERAP2
Hydrochloric Acid SCHEMBL2327717 0.87 CA2 (0.54) CA2CA1CA12CA9ERAP2
SCHEMBL9716715 0.87 ERAP2 (0.55) CA2CA1CA12CA9ERAP2
SCHEMBL7034241 0.87 LNPEP (0.60) CA2CA1CA12CA9ERAP2
SCHEMBL9716710 0.87 ERAP2 (0.55) CA2CA1CA12CA9ERAP2
SCHEMBL7034236 0.87 LNPEP (0.60) CA2CA1CA12CA9ERAP2
SCHEMBL607885 0.87 ITGB3 (0.60) CA2CA1CA12CA9ERAP2

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