SCHEMBL9830451

SCHEMBL9830451

CCCCC(NC(=O)OCCC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 7/20 0.47
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44
CTSK P43235 5/20 0.44
TGM2 P21980 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
CA2 P00918 1/20 0.43
HDAC2 Q92769 1/20 0.42
ACHE P22303 1/20 0.42
FOLH1 Q04609 1/20 0.41

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
SCHEMBL9830456 1.00 NOD1 (0.47) NOD1CTSSCTSLCTSKTGM2
SCHEMBL7382637 0.93 NOD1 (0.48) NOD1CTSSCTSLCTSKTGM2
SCHEMBL1077922 0.93 NOD1 (0.48) NOD1CTSSCTSLCTSKTGM2
SCHEMBL3625936 0.88 NOD1 (0.50) NOD1TGM2SIRT2SIRT1
SCHEMBL9832048 0.88 NOD1 (0.49) NOD1CTSSCTSLCTSKTGM2
SCHEMBL9832042 0.88 NOD1 (0.49) NOD1CTSSCTSLCTSKTGM2
SCHEMBL29233084 0.87 FOLH1 (0.51) NOD1TGM2SIRT2SIRT1CA2
SCHEMBL29233086 0.87 FOLH1 (0.51) NOD1TGM2SIRT2SIRT1CA2
SCHEMBL3629433 0.87 NOD1 (0.53) NOD1SIRT2SIRT1ACHE
SCHEMBL8973585 0.87 NOD1 (0.55) NOD1SIRT2SIRT1ACHE

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