SCHEMBL9829985

SCHEMBL9829985

CCCCC(=O)NC(CC(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
ITGB3 P05106 4/20 0.57
ITGA2B P08514 4/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALDH1A1 P00352 1/20 0.55
ASAH1 Q13510 1/20 0.55
ACER2 Q5QJU3 1/20 0.55
ITGAV P06756 1/20 0.51
ITGB5 P18084 1/20 0.51
ITGB6 P18564 1/20 0.51
CERT1 Q9Y5P4 3/20 0.50

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
SCHEMBL27758299 0.95 ASAH1 (0.60) SMN1; SMN2ITGB3ITGA2BALDH1A1ASAH1
SCHEMBL9829245 0.91 SMN1; SMN2 (0.60) SMN1; SMN2ITGB3ITGA2BALDH1A1ASAH1
SCHEMBL5700867 0.88 ITGB3 (0.60) SMN1; SMN2ITGB3ITGA2BALDH1A1ITGAV
SCHEMBL5700862 0.88 ITGB3 (0.60) SMN1; SMN2ITGB3ITGA2BALDH1A1ITGAV
SCHEMBL6857593 0.85 SMN1; SMN2 (0.64) SMN1; SMN2ITGB3ITGA2BALDH1A1ITGAV
SCHEMBL7413120 0.83 ASAH1 (0.60) ALDH1A1ASAH1ACER2CERT1
SCHEMBL28217435 0.82 ASAH1 (0.66) SMN1; SMN2ALDH1A1ASAH1ACER2CERT1
SCHEMBL5720839 0.81 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1ASAH1ACER2
SCHEMBL327206 0.81 SMN1; SMN2 (0.57) SMN1; SMN2ITGB3ITGA2BALDH1A1ASAH1
SCHEMBL9843976 0.81 NPSR1 (0.77) SMN1; SMN2NPSR1ALDH1A1ASAH1ACER2

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