SCHEMBL9830736

SCHEMBL9830736

O=C(NC(CCO)C(=O)O)OCc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 0.50
PPARA Q07869 3/20 0.48
PPARG P37231 1/20 0.48
NAALAD2 Q9Y3Q0 1/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
MME P08473 1/20 0.47
ECE1 P42892 1/20 0.47
ITGB3 P05106 4/20 0.46
ITGA2B P08514 4/20 0.46

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
SCHEMBL9830742 1.00 TGM2 (0.50) TGM2PPARAPPARGNAALAD2CTSL
SCHEMBL1111208 0.90 PPARA (0.55) PPARAPPARGCTSLCTSBCTSS
SCHEMBL376362 0.90 PPARA (0.55) PPARAPPARGCTSLCTSBCTSS
SCHEMBL1111209 0.90 PPARA (0.55) PPARAPPARGCTSLCTSBCTSS
SCHEMBL9832156 0.89 TGM2 (0.63) TGM2PPARAPPARGCTSLCTSK
SCHEMBL9832150 0.89 TGM2 (0.63) TGM2PPARAPPARGCTSLCTSK
SCHEMBL8814463 0.87 NAALAD2 (0.64) TGM2PPARAPPARGNAALAD2MME
SCHEMBL7515531 0.81 FOLH1 (0.58) TGM2PPARAPPARGCTSLCTSS
SCHEMBL221300 0.81 ECE1 (0.65) CTSLCTSBCTSSCTSKMME
SCHEMBL1702159 0.81 ECE1 (0.65) CTSLCTSBCTSSCTSKMME

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