SCHEMBL9831107

SCHEMBL9831107

O=C(Cc1ccccc1)NC(CC(C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.57
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
PSMB8 P28062 2/20 0.51
PSMB5 P28074 2/20 0.51
NAALAD2 Q9Y3Q0 1/20 0.51
POLB P06746 1/20 0.51
FOLH1 Q04609 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSS P25774 1/20 0.51
CNR1 P21554 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 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
SCHEMBL9831110 1.00 CNR2 (0.57) CNR2KMT2AMEN1HDAC8HDAC6
SCHEMBL2368096 0.87 PSMB8 (0.64) CNR2PSMB8PSMB5POLBFOLH1
SCHEMBL2368090 0.87 PSMB8 (0.64) CNR2PSMB8PSMB5POLBFOLH1
SCHEMBL15251753 0.87 PSMB8 (0.64) CNR2PSMB8PSMB5POLBFOLH1
SCHEMBL29071697 0.87 CNR2 (0.54) CNR2KMT2AMEN1HDAC8HDAC6
SCHEMBL28045762 0.87 CNR2 (0.48) CNR2PSMB8PSMB5NAALAD2POLB
SCHEMBL10504767 0.84 ITGB3 (0.65) CNR2PSMB8PSMB5NAALAD2CTSL
SCHEMBL6137652 0.84 CNR2 (0.59) CNR2KMT2AMEN1HDAC8HDAC6
SCHEMBL6137656 0.84 CNR2 (0.59) CNR2KMT2AMEN1HDAC8HDAC6
SCHEMBL4144665 0.84 ITGB3 (0.65) CNR2PSMB8PSMB5NAALAD2CTSL

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