SCHEMBL14040571

SCHEMBL14040571

CCCCOc1ccc(S(=O)(=O)NC2CC(=O)N(O)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MMP2 P08253 3/20 0.46
MMP1 P03956 2/20 0.46
MMP13 P45452 2/20 0.46
ADAMTS4 O75173 1/20 0.46
MMP14 P50281 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
MAPK1 P28482 1/20 0.43
RECQL P46063 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
SCHEMBL4703238 1.00 ALDH1A1 (0.48) ALDH1A1MMP2MMP1MMP13ADAMTS4
SCHEMBL4703108 1.00 ALDH1A1 (0.48) ALDH1A1MMP2MMP1MMP13ADAMTS4
SCHEMBL4699851 0.87 MMP13 (0.42) ALDH1A1MMP2MMP1MMP13MEN1
SCHEMBL5882266 0.79 ALDH1A1 (0.44) ALDH1A1MMP1MMP13MEN1MAPT
SCHEMBL14040501 0.75 MMP2 (0.47) MMP2MMP1MMP13MMP14MEN1
SCHEMBL5881800 0.75 MMP2 (0.47) MMP2MMP1MMP13MMP14MEN1
SCHEMBL14040569 0.73 F10 (0.52) ALDH1A1MMP2KMT2ALMNASMN1; SMN2
SCHEMBL6846126 0.69 TSHR (0.64) ALDH1A1MMP2MMP1MMP13ADAMTS4
SCHEMBL4698467 0.69 F10 (0.42) MMP2MMP1MMP13ADAMTS4MMP14
SCHEMBL6846124 0.68 TSHR (0.62) ALDH1A1MMP2MMP1MMP13ADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444202-B1 NOVEL METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2008-10-15 EP disclosed