SCHEMBL7430258

SCHEMBL7430258

O=C(O)NC1CCCCC1CS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.52
MMP9 P14780 12/20 0.52
MMP14 P50281 9/20 0.52
MMP3 P08254 5/20 0.41
MMP1 P03956 5/20 0.41
MMP8 P22894 5/20 0.41
MMP7 P09237 3/20 0.41
ADAM17 P78536 2/20 0.41
MMP13 P45452 3/20 0.41
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
ENPP2 Q13822 1/20 0.41

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
SCHEMBL22090368 0.75 LMNA (0.48)
SCHEMBL7916925 0.75 MMP2 (0.50) MMP2MMP9MMP14MMP3MMP1
SCHEMBL7430251 0.75 MMP2 (0.50) MMP2MMP9MMP14MMP3MMP1
SCHEMBL56831 0.74 MMP1 (0.51) MMP2MMP9MMP14MMP3MMP1
SCHEMBL7924914 0.74 CRBN (0.47) MMP2MMP9MMP14MMP1MMP8
SCHEMBL20959508 0.71 EPHX2 (0.50)
SCHEMBL21820745 0.69 CRBN (0.53) MMP2MMP9MMP14
SCHEMBL27543888 0.67 BCL2L1 (0.51) MMP2MMP9MMP14MMP3MMP1
SCHEMBL2986117 0.67 CCR2 (0.62)
SCHEMBL4613041 0.67 CTSK (0.77)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235786-B1 RHEUMATIC DISORDERS; BONE DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-22 US claimed
WO-2000044712-A1 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-08-03 WO claimed
US-6235786-B1 RHEUMATIC DISORDERS; BONE DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-22 US disclosed
WO-2000044712-A1 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-08-03 WO disclosed