SCHEMBL4697964

SCHEMBL4697964

Cc1ccc(S(=O)(=O)NC(CC(=O)O)C(=O)N(O)C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
ADAMTS4 O75173 1/20 0.49
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
MMP13 P45452 5/20 0.48
MMP2 P08253 4/20 0.48
MMP9 P14780 4/20 0.48
MMP3 P08254 2/20 0.48
MMP1 P03956 2/20 0.48
MMP7 P09237 1/20 0.48
CA2 P00918 4/20 0.46
CA9 Q16790 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CA12 O43570 2/20 0.46
TSHR P16473 1/20 0.46
CA1 P00915 3/20 0.45
CA7 P43166 1/20 0.45
MMP8 P22894 1/20 0.44
AIMP2 Q13155 1/20 0.44

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
SCHEMBL698842 0.83 TDP1 (0.63) TDP1ADAMTS4SLC1A3SLC1A2SLC1A1
SCHEMBL4339865 0.83 TDP1 (0.63) TDP1ADAMTS4SLC1A3SLC1A2SLC1A1
SCHEMBL698843 0.83 TDP1 (0.63) TDP1ADAMTS4SLC1A3SLC1A2SLC1A1
SCHEMBL28554116 0.78 GAA (0.55) TDP1ADAMTS4SLC1A3SLC1A2SLC1A1
SCHEMBL30988968 0.78 GAA (0.55) TDP1ADAMTS4SLC1A3SLC1A2SLC1A1
SCHEMBL4174786 0.77 TDP1 (0.47) TDP1ADAMTS4SLC1A3SLC1A2SLC1A1
SCHEMBL11571551 0.76 TDP1 (0.55) TDP1ADAMTS4SLC1A3SLC1A2SLC1A1
SCHEMBL30988973 0.75 TDP1 (0.48) TDP1ADAMTS4SLC1A3SLC1A2SLC1A1
SCHEMBL6250115 0.75 SLC1A3 (0.60) TDP1ADAMTS4SLC1A3SLC1A2SLC1A1
SCHEMBL11351046 0.73 MMP9 (0.71) TDP1SLC1A3SLC1A2SLC1A1MMP13

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963285-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS Amgen Inc. (US) 2008-09-03 EP disclosed
WO-2007067629-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2007-06-14 WO disclosed