SCHEMBL7419988

SCHEMBL7419988

COC(=O)N(O)C(=O)C1(CS(=O)(=O)c2ccc(OCc3ccnc4ccccc34)cc2)CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 14/20 0.49
MMP13 P45452 11/20 0.49
ADAMTS4 O75173 1/20 0.47
MMP1 P03956 3/20 0.45
MMP2 P08253 4/20 0.43
MMP9 P14780 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
SCHEMBL7421426 0.94 ADAM17 (0.47) ADAM17MMP13ADAMTS4MMP1MMP2
SCHEMBL7430361 0.88 ADAM17 (0.45) ADAM17MMP13ADAMTS4MMP1MMP2
SCHEMBL7421651 0.86 MMP1 (0.46) ADAM17MMP13ADAMTS4MMP1MMP2
SCHEMBL7362510 0.85 ADAM17 (0.58) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL7427244 0.84 ADAM17 (0.42) ADAM17MMP13ADAMTS4MMP1MMP2
SCHEMBL7427517 0.82 ADAM17 (0.43) ADAM17MMP13ADAMTS4MMP1MMP2
SCHEMBL7427644 0.80 ADAM17 (0.42) ADAM17MMP13ADAMTS4MMP1MMP2
SCHEMBL7354772 0.79 ADAM17 (0.58) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL7353427 0.74 ADAM17 (0.57) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL7950401 0.74 MMP1 (0.50) ADAM17MMP13ADAMTS4MMP1MMP2

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
EP-1077974-A1 SUBSTITUTED ARYL HYDROXAMIC ACIDS AS METALLOPROTEINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-02-28 EP claimed
WO-1999058528-A1 SUBSTITUTED ARYL HYDROXAMIC ACIDS AS METALLOPROTEINASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY. (US) 1999-11-18 WO claimed
EP-1077974-A1 SUBSTITUTED ARYL HYDROXAMIC ACIDS AS METALLOPROTEINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-02-28 EP disclosed
WO-1999058528-A1 SUBSTITUTED ARYL HYDROXAMIC ACIDS AS METALLOPROTEINASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY. (US) 1999-11-18 WO disclosed