SCHEMBL6757477

SCHEMBL6757477

CC(C)(C)[C@@]1(C(=O)O)N(S(=O)(=O)c2ccc(OCC#CCCCCOC3CCCCO3)cc2)CCSC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 19/20 0.45
ADAM17 P78536 19/20 0.45
MMP13 P45452 18/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MMP9 P14780 3/20 0.39
ADAM10 O14672 2/20 0.39
MMP3 P08254 2/20 0.39
ADAM9 Q13443 2/20 0.39
MMP2 P08253 1/20 0.38

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
SCHEMBL6503573 0.91 MMP1 (0.46) MMP1ADAM17MMP13MEN1KMT2A
SCHEMBL6757443 0.85 MMP1 (0.47) MMP1ADAM17MMP13MMP9ADAM10
SCHEMBL6757484 0.85 MMP1 (0.57) MMP1ADAM17MMP13MMP9ADAM10
SCHEMBL6502669 0.82 MMP1 (0.61) MMP1ADAM17MMP13MMP9ADAM10
SCHEMBL6757474 0.81 MMP1 (0.62) MMP1ADAM17MMP13MMP9ADAM10
SCHEMBL6754058 0.81 MMP1 (0.54) MMP1ADAM17MMP13MMP9ADAM10
SCHEMBL6500490 0.81 MMP1 (0.60) MMP1ADAM17MMP13MMP9ADAM10
SCHEMBL6508270 0.80 MMP1 (0.62) MMP1ADAM17MMP13MMP9ADAM10
SCHEMBL6502767 0.79 MMP1 (0.45) MMP1ADAM17MMP13MMP9ADAM10
SCHEMBL6503571 0.79 MMP1 (0.61) 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