SCHEMBL7208418

SCHEMBL7208418

CCCCOc1ccc(S(=O)(=O)CCCO)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.63
CA2 P00918 5/20 0.58
CA12 O43570 3/20 0.58
CA1 P00915 3/20 0.58
CA9 Q16790 3/20 0.58
CA7 P43166 2/20 0.58
TSHR P16473 2/20 0.58
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MMP13 P45452 4/20 0.49
MMP2 P08253 2/20 0.49
ADAMTS4 O75173 1/20 0.49
MMP14 P50281 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49
MAPK1 P28482 2/20 0.49
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.48
MMP8 P22894 2/20 0.47
MMP9 P14780 1/20 0.47

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
SCHEMBL7208430 0.95 MMP1 (0.58) MMP1CA2CA12CA1CA9
SCHEMBL9099043 0.88 MMP1 (0.55) MMP1CA2CA12CA1CA9
SCHEMBL9102944 0.88 MMP1 (0.55) MMP1CA2CA12CA1CA9
SCHEMBL9099956 0.88 MMP1 (0.55) MMP1CA2CA12CA1CA9
SCHEMBL9100424 0.88 MMP1 (0.55) MMP1CA2CA12CA1CA9
SCHEMBL9099961 0.87 MMP1 (0.57) MMP1CA2CA12CA1CA9
SCHEMBL9099971 0.87 MMP1 (0.57) MMP1CA2CA12CA1CA9
SCHEMBL9103103 0.85 MMP1 (0.55) MMP1CA2CA12CA1CA9
SCHEMBL9098778 0.85 MMP1 (0.55) MMP1CA2CA12CA1CA9
SCHEMBL9100594 0.85 MMP1 (0.55) MMP1CA2CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0939628-B1 THIOL SULFONE METALLOPROTEASE INHIBITORS MONSANTO CO (US) 2003-03-05 EP disclosed
US-6013649-A BOND DISORDERS; AUTOIMMUNE DISEASES; ANTITUMOR AGENTS MONSANTO COMPANY (US) 2000-01-11 US disclosed
EP-0939628-A4 THIOL SULFONE METALLOPROTEASE INHIBITORS MONSANTO CO (US) 1999-12-22 EP disclosed
EP-0939628-A1 THIOL SULFONE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1999-09-08 EP disclosed
WO-1998003164-A1 THIOL SULFONE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1998-01-29 WO disclosed