SCHEMBL6757482

SCHEMBL6757482

CC(C)(C)OC(=O)[C@@H]1N(S(=O)(=O)c2ccc(OCC#CCCCCO)cc2)CCSC1(C)C

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 20/20 0.78
ADAM17 P78536 20/20 0.78
MMP13 P45452 19/20 0.78
MMP9 P14780 3/20 0.63
ADAM10 O14672 2/20 0.63
MMP3 P08254 2/20 0.63
ADAM9 Q13443 2/20 0.63
MMP2 P08253 1/20 0.59

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
SCHEMBL6504024 0.91 MMP1 (0.84) MMP1ADAM17MMP13MMP9ADAM10
SCHEMBL6754057 0.91 MMP1 (0.76) MMP1ADAM17MMP13MMP9ADAM10
SCHEMBL6757442 0.90 MMP1 (0.67) MMP1ADAM17MMP13MMP9ADAM10
SCHEMBL6500981 0.90 MMP1 (0.82) MMP1ADAM17MMP13MMP9ADAM10
SCHEMBL7437940 0.90 MMP1 (0.82) MMP1ADAM17MMP13MMP9ADAM10
SCHEMBL7440409 0.87 MMP1 (1.00) MMP1ADAM17MMP13MMP9ADAM10
SCHEMBL3941937 0.87 MMP1 (1.00) MMP1ADAM17MMP13MMP9ADAM10
SCHEMBL6502760 0.87 MMP1 (0.69) MMP1ADAM17MMP13MMP9ADAM10
SCHEMBL6757474 0.86 MMP1 (0.62) MMP1ADAM17MMP13MMP9ADAM10
SCHEMBL6756494 0.86 MMP1 (0.86) MMP1ADAM17MMP13MMP9ADAM10

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-6716833-B2 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, SEPSIS, AIDS, ULCERATIVE COLITIS, MULTIPLE SCLEROSIS, CROHN'S DISEASE AND DEGENERATIVE CARTILAGE LOSS. WYETH HOLDINGS CORPORATION 2004-04-06 US disclosed