SCHEMBL6654897

SCHEMBL6654897

CC#CCOc1ccc(S(=O)(=O)C(CC)(C(=O)O)C2CCNCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.54
MMP13 P45452 10/20 0.52
MMP1 P03956 6/20 0.52
MMP2 P08253 4/20 0.48
MMP9 P14780 3/20 0.46
MMP8 P22894 1/20 0.43
MMP14 P50281 2/20 0.43

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
SCHEMBL6656854 0.88 ADAM17 (0.54) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL6656569 0.88 ADAM17 (0.54) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL7522928 0.87 ADAM17 (0.50) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL6787090 0.85 ADAM17 (0.59) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL6786688 0.82 ADAM17 (0.62) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL6785940 0.80 ADAM17 (0.56) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL7325352 0.74 ADAM17 (0.79) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL7313621 0.72 ADAM17 (0.56) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL6506632 0.72 MMP13 (0.80) ADAM17MMP13MMP1MMP9
SCHEMBL995167 0.71 ADAM17 (0.53) ADAM17MMP13MMP1MMP2MMP9

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
US-6825354-B2 OSTEOPOROSIS; RHEUMATIC DISEASES WYETH HOLDINGS CORPORATION 2004-11-30 US disclosed
EP-1147080-B1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP disclosed