SCHEMBL9832042

SCHEMBL9832042

CCCCC(NC(=O)OCC)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 7/20 0.49
CTSS P25774 2/20 0.45
CTSL P07711 1/20 0.45
CTSK P43235 3/20 0.44
TGM2 P21980 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA2 P00918 2/20 0.43
HDAC2 Q92769 1/20 0.43
MME P08473 2/20 0.42
CA1 P00915 1/20 0.42
ECE1 P42892 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
SCHEMBL9832048 1.00 NOD1 (0.49) NOD1CTSSCTSLCTSKTGM2
SCHEMBL6269749 0.95 NOD1 (0.51) NOD1TGM2SIRT2SIRT1MAPK1
SCHEMBL1858630 0.89 FPR2 (0.43) NOD1CTSSCTSKTGM2SIRT2
SCHEMBL7382637 0.88 NOD1 (0.48) NOD1CTSSCTSLCTSKTGM2
SCHEMBL9830451 0.88 NOD1 (0.47) NOD1CTSSCTSLCTSKTGM2
SCHEMBL9830456 0.88 NOD1 (0.47) NOD1CTSSCTSLCTSKTGM2
SCHEMBL1077922 0.88 NOD1 (0.48) NOD1CTSSCTSLCTSKTGM2
Hydrochloric Acid SCHEMBL27527505 0.87 FPR2 (0.42) NOD1CTSSCTSKTGM2SIRT2
SCHEMBL9716671 0.86 FOLH1 (0.47) NOD1TGM2SIRT2SIRT1
SCHEMBL9831687 0.86 FOLH1 (0.47) NOD1

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