SCHEMBL9716665

SCHEMBL9716665

CCOC(=O)N[C@@H](CCCN)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.47
SLC6A5 Q9Y345 1/20 0.44
NOD1 Q9Y239 6/20 0.43
CYP1A2 P05177 1/20 0.42
CPB2 Q96IY4 1/20 0.41
TGM2 P21980 2/20 0.40
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
KLKB1 P03952 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TPSAB1 Q15661 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
HDAC4 P56524 1/20 0.38
MEF2D Q14814 1/20 0.38

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
SCHEMBL9716663 1.00 FOLH1 (0.47) FOLH1SLC6A5NOD1CYP1A2CPB2
SCHEMBL9716671 1.00 FOLH1 (0.47) FOLH1SLC6A5NOD1CYP1A2CPB2
Hydrochloric Acid SCHEMBL28028607 0.98 FOLH1 (0.46) FOLH1SLC6A5NOD1CYP1A2CPB2
SCHEMBL9716676 0.95 FOLH1 (0.54) FOLH1SLC6A5NOD1CYP1A2CPB2
SCHEMBL9716669 0.95 FOLH1 (0.54) FOLH1SLC6A5NOD1CYP1A2CPB2
Hydrochloric Acid SCHEMBL28265302 0.94 FOLH1 (0.53) FOLH1SLC6A5NOD1CPB2TGM2
SCHEMBL9832048 0.86 NOD1 (0.49) NOD1TGM2SIRT2SIRT1
SCHEMBL9832042 0.86 NOD1 (0.49) NOD1TGM2SIRT2SIRT1
SCHEMBL6688677 0.86 NOD1 (0.47) FOLH1SLC6A5NOD1ITGB3ITGA2B
SCHEMBL9716662 0.86 NOD1 (0.47) FOLH1SLC6A5NOD1ITGB3ITGA2B

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