SCHEMBL7363605

SCHEMBL7363605

CC#CC(Oc1ccc(S(=O)(=O)C2(C(=O)O)CCN(Cc3ccc(Br)cc3)CC2)cc1)N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.57
MMP1 P03956 16/20 0.57
MMP9 P14780 16/20 0.57
MMP13 P45452 16/20 0.57

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
SCHEMBL6759041 0.92 ADAM17 (0.55) ADAM17MMP1MMP9MMP13
SCHEMBL7043867 0.83 ADAM17 (0.53) ADAM17MMP1MMP9MMP13
SCHEMBL6568472 0.81 MMP1 (0.82) ADAM17MMP1MMP9MMP13
SCHEMBL6262676 0.81 ADAM17 (0.84) ADAM17MMP1MMP9MMP13
SCHEMBL6268284 0.78 ADAM17 (0.72) ADAM17MMP1MMP9MMP13
SCHEMBL6265234 0.77 ADAM17 (0.84) ADAM17MMP1MMP9MMP13
SCHEMBL6275563 0.76 ADAM17 (0.85) ADAM17MMP1MMP9MMP13
SCHEMBL6567493 0.75 MMP1 (0.79) ADAM17MMP1MMP9MMP13
Hydroxyamine SCHEMBL6704849 0.75 ADAM17 (0.81) ADAM17MMP1MMP9MMP13
Hydroxyamine SCHEMBL6702004 0.75 ADAM17 (0.82) ADAM17MMP1MMP9MMP13

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-1147085-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
WO-2000044723-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS/TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed