SCHEMBL9829328

SCHEMBL9829328

CCCCc1ccc(C(=O)NC(CC(C)C)C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.69
TAS1R3 Q7RTX0 2/20 0.64
TAS1R1 Q7RTX1 2/20 0.64
CA2 P00918 4/20 0.59
CA1 P00915 3/20 0.59
CA12 O43570 1/20 0.58
CA9 Q16790 1/20 0.58
GRN P28799 3/20 0.56
SORT1 Q99523 3/20 0.56
PLK1 P53350 1/20 0.56
TRPV1 Q8NER1 1/20 0.53
ASAH2 Q9NR71 1/20 0.51
CTSS P25774 1/20 0.49
RARB P10826 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL9829334 1.00 MAPT (0.69) MAPTTAS1R3TAS1R1CA2CA1
SCHEMBL4173638 0.92 TAS1R3 (0.76) MAPTTAS1R3TAS1R1CA2CA1
SCHEMBL28965835 0.83 PTPN1 (0.66) CA2CA1CA12CA9PLK1
SCHEMBL28965836 0.83 PTPN1 (0.66) CA2CA1CA12CA9PLK1
SCHEMBL18068386 0.82 CA2 (0.64) CA2CA1CA12CA9PLK1
SCHEMBL15200061 0.81 MAPT (0.48) MAPTTAS1R3TAS1R1CA2CA1
SCHEMBL16124678 0.81 MAPT (0.65) MAPTTAS1R3TAS1R1GAA
SCHEMBL19135349 0.81 LNPEP (0.48) MAPTTAS1R3TAS1R1CA2CA1
SCHEMBL31611853 0.80 CA2 (0.68) TAS1R3TAS1R1CA2CA1CA12
SCHEMBL4160513 0.80 CA2 (0.68) TAS1R3TAS1R1CA2CA1CA12

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