SCHEMBL6859797

SCHEMBL6859797

CC#CCOc1ccc(S(=O)(=O)NC(CCCNC(=O)NCC)C(=O)NO)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 14/20 0.62
MMP9 P14780 13/20 0.62
MMP1 P03956 11/20 0.62
ADAM10 O14672 5/20 0.62
MMP2 P08253 4/20 0.62
MMP14 P50281 4/20 0.62
ADAM8 P78325 2/20 0.61
MMP13 P45452 9/20 0.61
MMP7 P09237 1/20 0.58
MMP8 P22894 1/20 0.58
BMP1 P13497 5/20 0.55
MMP12 P39900 1/20 0.53

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
SCHEMBL3947507 1.00 ADAM17 (0.62) ADAM17MMP9MMP1ADAM10MMP2
SCHEMBL3946223 0.92 ADAM17 (0.63) ADAM17MMP9MMP1ADAM10MMP2
SCHEMBL3947964 0.90 ADAM17 (0.68) ADAM17MMP9MMP1ADAM10MMP2
SCHEMBL3940046 0.90 ADAM17 (0.65) ADAM17MMP9MMP1ADAM10MMP2
SCHEMBL3939526 0.89 ADAM17 (0.67) ADAM17MMP9MMP1ADAM10MMP2
SCHEMBL3938317 0.88 ADAM17 (0.61) ADAM17MMP9MMP1ADAM10MMP2
SCHEMBL6506672 0.88 ADAM17 (0.66) ADAM17MMP9MMP1ADAM10MMP2
SCHEMBL3948020 0.87 ADAM17 (0.69) ADAM17MMP9MMP1ADAM10MMP2
SCHEMBL3938885 0.87 ADAM17 (0.69) ADAM17MMP9MMP1ADAM10MMP2
SCHEMBL7037217 0.87 ADAM17 (0.61) ADAM17MMP9MMP1ADAM10MMP2

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