SCHEMBL7356347

SCHEMBL7356347

O=C(O)NCC1(CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)COCOC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 17/20 0.45
MMP1 P03956 9/20 0.45
MMP14 P50281 7/20 0.45
MMP3 P08254 6/20 0.45
MMP8 P22894 5/20 0.45
MMP2 P08253 13/20 0.44
MMP13 P45452 6/20 0.41
MMP7 P09237 2/20 0.40
TP53 P04637 1/20 0.40
ABCB11 O95342 1/20 0.39
MMP10 P09238 1/20 0.39
ADAM17 P78536 1/20 0.39

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
SCHEMBL7923030 0.79 MMP9 (0.53) MMP9MMP1MMP3MMP8MMP2
SCHEMBL8001764 0.73 MMP9 (0.46) MMP9MMP1MMP14MMP3MMP8
SCHEMBL7990360 0.71 MMP9 (0.60) MMP9MMP1MMP14MMP3MMP8
SCHEMBL8000267 0.71 MMP13 (0.75) MMP9MMP1MMP14MMP3MMP8
SCHEMBL7365907 0.70 MMP2 (0.48) MMP9MMP1MMP14MMP3MMP2
SCHEMBL8002774 0.70 MMP9 (0.50) MMP9MMP1MMP14MMP3MMP8
SCHEMBL8001945 0.69 MMP14 (0.60) MMP9MMP1MMP14MMP3MMP8
SCHEMBL7990314 0.69 MMP9 (0.52) MMP9MMP1MMP14MMP3MMP8
SCHEMBL8000236 0.68 MMP9 (0.60) MMP9MMP1MMP14MMP3MMP8
SCHEMBL8005756 0.68 MMP2 (0.50) MMP9MMP1MMP14MMP3MMP2

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
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