SCHEMBL6782870

SCHEMBL6782870

CC#CCOc1ccc([S+]([O-])C(C(=O)NO)c2cccc(OCC)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.51
MMP13 P45452 12/20 0.51
MMP9 P14780 11/20 0.51
MMP1 P03956 10/20 0.51
ADAM10 O14672 1/20 0.44
MMP7 P09237 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44

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
SCHEMBL4206158 0.90 ADAM17 (0.53) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL6657885 0.88 ADAM17 (0.53) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL6656775 0.88 ADAM17 (0.53) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL6656626 0.87 ADAM17 (0.52) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL3944724 0.87 ADAM17 (0.63) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL3944727 0.87 ADAM17 (0.63) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL6661478 0.87 ADAM17 (0.63) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL3949997 0.84 ADAM17 (0.53) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL3942782 0.81 ADAM17 (0.64) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL6661539 0.81 ADAM17 (0.53) ADAM17MMP13MMP9MMP1ADAM10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825354-B2 OSTEOPOROSIS; RHEUMATIC DISEASES WYETH HOLDINGS CORPORATION 2004-11-30 US disclosed