SCHEMBL9830231

SCHEMBL9830231

CCCCOc1ccc(C(=O)NC(C(=O)O)C(C)C)cc1

nearest known ligand 0.92

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.92
PPARA Q07869 1/20 0.92
NPSR1 Q6W5P4 1/20 0.80
CA2 P00918 2/20 0.53
CA1 P00915 1/20 0.53
TAS1R3 Q7RTX0 2/20 0.53
TAS1R1 Q7RTX1 2/20 0.53
HRH3 Q9Y5N1 1/20 0.53
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
PLK1 P53350 1/20 0.52
MMP1 P03956 1/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
PLA2G4B P0C869 1/20 0.51

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
SCHEMBL9830234 1.00 PPARG (0.92) PPARGPPARANPSR1CA2CA1
SCHEMBL19780924 0.96 PPARG (1.00) PPARGPPARANPSR1TP53TSHR
SCHEMBL19781325 0.96 PPARG (1.00) PPARGPPARANPSR1TP53TSHR
SCHEMBL19781326 0.94 PPARG (0.83) PPARGPPARANPSR1CA2CA1
SCHEMBL19781327 0.94 PPARG (0.83) PPARGPPARANPSR1CA2CA1
SCHEMBL19781301 0.89 NPSR1 (1.00) PPARGPPARANPSR1CA2CA1
SCHEMBL19781302 0.89 NPSR1 (1.00) PPARGPPARANPSR1CA2CA1
SCHEMBL19780913 0.84 PPARG (0.80) PPARGPPARANPSR1TAS1R3TAS1R1
SCHEMBL19781331 0.84 PPARG (0.80) PPARGPPARANPSR1TAS1R3TAS1R1
SCHEMBL19781332 0.84 PPARG (0.80) PPARGPPARANPSR1TAS1R3TAS1R1

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