SCHEMBL9716710

SCHEMBL9716710

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 4/20 0.55
LNPEP Q9UIQ6 4/20 0.55
ERAP1 Q9NZ08 2/20 0.55
CA2 P00918 9/20 0.54
CA1 P00915 3/20 0.54
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
HPGDS O60760 1/20 0.52
FOLH1 Q04609 1/20 0.50
CTSB P07858 1/20 0.49
C3AR1 Q16581 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
CASR P41180 1/20 0.48

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
SCHEMBL9716715 1.00 ERAP2 (0.55) ERAP2LNPEPERAP1CA2CA1
SCHEMBL9716809 0.95 CA2 (0.54) ERAP2LNPEPERAP1CA2CA1
SCHEMBL9716816 0.95 CA2 (0.54) ERAP2LNPEPERAP1CA2CA1
SCHEMBL9716814 0.95 CA2 (0.54) ERAP2LNPEPERAP1CA2CA1
SCHEMBL10374327 0.92 LNPEP (0.53) ERAP2LNPEPERAP1CA2CA1
SCHEMBL31238118 0.89 CA2 (0.56) CA2CA1FOLH1
SCHEMBL7034236 0.88 LNPEP (0.60) ERAP2LNPEPERAP1CA2CA1
SCHEMBL7034241 0.88 LNPEP (0.60) ERAP2LNPEPERAP1CA2CA1
SCHEMBL607886 0.88 ITGB3 (0.60) ERAP2LNPEPERAP1CA2CA1
SCHEMBL607885 0.88 ITGB3 (0.60) ERAP2LNPEPERAP1CA2CA1

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 4 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
US-4116949-A WATER-SOLUBLE, PHYSIOLOGICALLY ACTIVE, SYNTHETIC COPOLYPEPTIDES THE REAGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1978-09-26 US disclosed