SCHEMBL9831124

SCHEMBL9831124

COC[C@H](NC(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.55
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
CTSS P25774 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA3 P07451 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CACNA1C Q13936 1/20 0.54
SCN9A Q15858 1/20 0.54
CA9 Q16790 1/20 0.54
CA13 Q8N1Q1 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53

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
SCHEMBL9831119 1.00 CNR2 (0.55) CNR2CTSLCTSBCTSSCA12
SCHEMBL10659140 0.85 KDM4E (0.56) CA12CA1CA2CA3CA4
SCHEMBL10659142 0.85 KDM4E (0.56) CA12CA1CA2CA3CA4
SCHEMBL17600438 0.84 GRN (0.54) CNR2CTSLCTSBCTSSITGB3
SCHEMBL17600437 0.84 GRN (0.54) CNR2CTSLCTSBCTSSITGB3
SCHEMBL28045721 0.83 FOLH1 (0.63) CNR2CTSLCTSBCTSSITGB3
SCHEMBL28045720 0.83 FOLH1 (0.63) CNR2CTSLCTSBCTSSITGB3
SCHEMBL6136287 0.82 POLB (0.59) CNR2CTSLCTSBCTSSPOLB
SCHEMBL6049439 0.82 POLB (0.59) CNR2CTSLCTSBCTSSPOLB
SCHEMBL10504767 0.80 ITGB3 (0.65) CNR2CTSLCTSBCTSSITGB3

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