SCHEMBL7942802

SCHEMBL7942802

NC(=O)C1(CS(=O)(=O)c2ccc(OCc3cccc4ncccc34)cc2)CCN(O)CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.44
ADAM17 P78536 13/20 0.43
MMP13 P45452 10/20 0.43
MMP2 P08253 6/20 0.42
MMP9 P14780 2/20 0.42

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
SCHEMBL7950401 0.94 MMP1 (0.50) MMP1ADAM17MMP13MMP2MMP9
SCHEMBL7951099 0.85 ADAM17 (0.46) MMP1ADAM17MMP13MMP2MMP9
SCHEMBL7358650 0.81 ADAM17 (0.61) MMP1ADAM17MMP13MMP2MMP9
SCHEMBL7356665 0.78 ADAM17 (0.56) MMP1ADAM17MMP13MMP2MMP9
SCHEMBL7354772 0.78 ADAM17 (0.58) MMP1ADAM17MMP13MMP2MMP9
SCHEMBL7427644 0.75 ADAM17 (0.42) MMP1ADAM17MMP13MMP2MMP9
SCHEMBL7354231 0.74 ADAM17 (0.62) MMP1ADAM17MMP13MMP2MMP9
SCHEMBL7421426 0.74 ADAM17 (0.47) MMP1ADAM17MMP13MMP2MMP9
SCHEMBL7427517 0.74 ADAM17 (0.43) MMP1ADAM17MMP13MMP2MMP9
SCHEMBL7353427 0.72 ADAM17 (0.57) MMP1ADAM17MMP13MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268379-B1 Substituted aryl hydroxamic acids as metalloproteinase inhibitors DUPONT PHARMACEUTICALS COMPANY 2001-07-31 US claimed
US-6268379-B1 Substituted aryl hydroxamic acids as metalloproteinase inhibitors DUPONT PHARMACEUTICALS COMPANY 2001-07-31 US disclosed