SCHEMBL7414482

SCHEMBL7414482

CC#CCOc1ccc(S(=O)(=O)N(CCN2CCOCC2)CC(C)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.51
BMP1 P13497 1/20 0.50
ALDH1A1 P00352 4/20 0.48
ADAM17 P78536 12/20 0.48
MMP13 P45452 10/20 0.47
MMP2 P08253 6/20 0.47
MMP1 P03956 6/20 0.46
MMP9 P14780 6/20 0.46
MMP7 P09237 2/20 0.45
MMP8 P22894 2/20 0.45
MMP14 P50281 1/20 0.45
GAA P10253 2/20 0.44
USP2 O75604 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
SCHEMBL6323083 0.85 ALDH1A1 (0.54) MMP3BMP1ALDH1A1USP2
SCHEMBL6626956 0.83 MMP3 (0.75) MMP3BMP1ALDH1A1ADAM17MMP13
SCHEMBL6675605 0.83 ADAM17 (0.47) MMP3BMP1ALDH1A1ADAM17MMP13
Hydrochloric Acid SCHEMBL3938385 0.83 MMP3 (0.73) MMP3BMP1ALDH1A1ADAM17MMP13
SCHEMBL6508689 0.81 MMP13 (0.53) MMP3BMP1ALDH1A1ADAM17MMP13
SCHEMBL3944994 0.81 ADAM17 (0.50) MMP3BMP1ALDH1A1ADAM17MMP13
SCHEMBL6504827 0.81 MMP13 (0.55) MMP3BMP1ALDH1A1ADAM17MMP13
SCHEMBL3943732 0.81 MMP13 (0.66) MMP3BMP1ADAM17MMP13MMP2
Hydrochloric Acid SCHEMBL6498659 0.80 MMP13 (0.65) MMP3BMP1ADAM17MMP13MMP2
SCHEMBL6625705 0.79 ADAM17 (0.46) MMP3BMP1ADAM17MMP13MMP2

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
EP-1149074-A1 ACETYLENIC SULFONAMIDE THIOL TACE INHIBITORS American Cyanamid Company (US) 2001-10-31 EP disclosed
WO-2000044716-A1 ACETYLENIC SULFONAMIDE THIOL TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed