SCHEMBL9828943

SCHEMBL9828943

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.52
PLK1 P53350 1/20 0.51
TRPV1 Q8NER1 1/20 0.49
CA1 P00915 2/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.46
ASAH2 Q9NR71 1/20 0.45
GART P22102 1/20 0.45
RARB P10826 1/20 0.45
TGM2 P21980 1/20 0.44
DHFR P00374 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
FOLH1 Q04609 1/20 0.43

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
SCHEMBL9828944 1.00 CA2 (0.52) CA2PLK1TRPV1CA1CA12
SCHEMBL9831590 0.83 CA2 (0.53) CA2CA1CA12CA9L3MBTL1
SCHEMBL9831597 0.83 CA2 (0.53) CA2CA1CA12CA9L3MBTL1
SCHEMBL9831247 0.83 CA2 (0.53) CA2CA1CA12CA9L3MBTL1
SCHEMBL9831250 0.83 CA2 (0.53) CA2CA1CA12CA9L3MBTL1
SCHEMBL4955422 0.83 ALDH1A1 (0.53) CA2CA1CA12CA9ALDH1A1
SCHEMBL9830017 0.83 ALDH1A1 (0.53) CA2CA1CA12CA9ALDH1A1
SCHEMBL9829504 0.82 CA2 (0.55) CA2CA1CA12CA9L3MBTL1
SCHEMBL9829499 0.82 CA2 (0.55) CA2CA1CA12CA9L3MBTL1
SCHEMBL9829328 0.80 MAPT (0.69) CA2PLK1TRPV1CA1CA12

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