SCHEMBL7140328

SCHEMBL7140328

O=C1OC2CC(CS(=O)(=O)c3ccc(Oc4ccccn4)cc3)(C(=O)NO)CC2O1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 15/20 0.52
MMP1 P03956 11/20 0.52
MMP2 P08253 15/20 0.46
ADAM17 P78536 12/20 0.46
MMP9 P14780 8/20 0.46
MMP14 P50281 7/20 0.46
MMP3 P08254 2/20 0.46
ABCB11 O95342 1/20 0.46
MMP7 P09237 1/20 0.46
MMP10 P09238 1/20 0.46
MMP8 P22894 1/20 0.46
ADAMTS4 O75173 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
SCHEMBL7143831 0.90 MMP13 (0.52) MMP13MMP1MMP2ADAM17MMP9
SCHEMBL7139194 0.85 MMP13 (0.53) MMP13MMP1MMP2ADAM17MMP9
SCHEMBL7141681 0.83 MMP13 (0.52) MMP13MMP1MMP2ADAM17MMP9
SCHEMBL7139217 0.82 MMP13 (0.53) MMP13MMP1MMP2ADAM17MMP9
SCHEMBL7140990 0.82 MMP1 (0.67) MMP13MMP1MMP2ADAM17MMP9
SCHEMBL7139225 0.82 MMP1 (0.70) MMP13MMP1MMP2MMP9MMP14
SCHEMBL7143266 0.80 ADAM17 (0.50) MMP13MMP1MMP2ADAM17MMP9
SCHEMBL7137879 0.80 LTA4H (0.44) MMP13MMP1MMP2ADAM17MMP9
SCHEMBL7315160 0.80 MMP1 (0.52) MMP13MMP1MMP2ADAM17MMP9
SCHEMBL7141785 0.79 MMP2 (0.49) MMP13MMP1MMP2ADAM17MMP9

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
EP-1041072-B1 Dioxocyclopentyl hydroxamic acids PFIZER PROD INC (US) 2003-07-16 EP disclosed
US-6214870-B1 ANTIARTHRITIC AGENTS; ANTICANCER AGENTS PFIZER INC 2001-04-10 US disclosed
EP-1041072-A1 Dioxocyclopentyl hydroxamic acids Pfizer Products Inc. (US) 2000-10-04 EP disclosed