SCHEMBL6986922

SCHEMBL6986922

Cc1cc(C(C)Oc2ccc(CCN3C(C(=O)NO)CCS3(=O)=O)cc2)c2ccccc2n1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 11/20 0.73
MMP2 P08253 3/20 0.57
MMP9 P14780 3/20 0.57
MMP13 P45452 3/20 0.57
MMP1 P03956 1/20 0.45

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
SCHEMBL6291742 0.85 ADAM17 (1.00) ADAM17MMP2MMP9MMP13
SCHEMBL6986919 0.84 ADAM17 (0.86) ADAM17MMP2MMP9MMP13
SCHEMBL6291750 0.77 ADAM17 (1.00) ADAM17MMP2MMP9MMP13MMP1
SCHEMBL6295430 0.76 MMP13 (0.86) ADAM17MMP2MMP9MMP13MMP1
SCHEMBL6295428 0.76 MMP13 (0.86) ADAM17MMP2MMP9MMP13MMP1
SCHEMBL7399671 0.74 ADAM17 (0.51) ADAM17MMP2MMP9
SCHEMBL6296128 0.74 MMP2 (1.00) ADAM17MMP2MMP9MMP13MMP1
SCHEMBL6296125 0.74 MMP2 (1.00) ADAM17MMP2MMP9MMP13MMP1
SCHEMBL6291772 0.73 ADAM17 (0.91) ADAM17MMP2MMP9MMP13MMP1
SCHEMBL6291818 0.72 ADAM17 (1.00) ADAM17

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
EP-1322627-A1 CYCLIC SULFONYL COMPOUNDS AS INHIBITORS OF METALLOPROTEASES Bristol-Myers Squibb Pharma Company (US) 2003-07-02 EP disclosed
WO-2002028846-A1 CYCLIC SULFONYL COMPOUNDS AS INHIBITORS OF METALLOPROTEASES DUPONT PHARMACEUTICALS COMPANY (US) 2002-04-11 WO disclosed