SCHEMBL9716666

SCHEMBL9716666

CCCC(=O)NC(CCCN)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.62
NOD1 Q9Y239 14/20 0.59
GNPAT O15228 1/20 0.53
FOLH1 Q04609 1/20 0.53
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52

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
SCHEMBL9716812 1.00 SLC6A5 (0.62) SLC6A5NOD1GNPATFOLH1ITGB3
SCHEMBL9716672 1.00 SLC6A5 (0.62) SLC6A5NOD1GNPATFOLH1ITGB3
SCHEMBL5060759 0.95 SLC6A5 (0.68) SLC6A5NOD1GNPATFOLH1ITGB3
SCHEMBL343100 0.95 SLC6A5 (0.68) SLC6A5NOD1GNPATFOLH1ITGB3
SCHEMBL9664054 0.90 SLC6A5 (0.75) SLC6A5NOD1GNPATITGB3ITGA2B
SCHEMBL9664060 0.90 SLC6A5 (0.75) SLC6A5NOD1GNPATITGB3ITGA2B
SCHEMBL9664051 0.90 SLC6A5 (0.75) SLC6A5NOD1GNPATITGB3ITGA2B
SCHEMBL8205590 0.89 SLC6A5 (0.78) SLC6A5NOD1ITGB3ITGA2B
SCHEMBL9664648 0.89 SLC6A5 (0.78) SLC6A5NOD1ITGB3ITGA2B
SCHEMBL9666161 0.89 SLC6A5 (0.78) SLC6A5NOD1ITGB3ITGA2B

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