SCHEMBL7427424

SCHEMBL7427424

COc1ccc(S(=O)(=O)NC(CC(=O)N(CCO)C(C)C)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.49
MMP9 P14780 5/20 0.49
ALDH1A1 P00352 4/20 0.47
POLB P06746 2/20 0.47
MMP13 P45452 5/20 0.47
MMP3 P08254 5/20 0.47
MMP1 P03956 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ACHE P22303 1/20 0.46
ADAMTS4 O75173 2/20 0.44
MMP8 P22894 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BMP1 P13497 3/20 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
SCHEMBL7481215 1.00 MMP2 (0.49) MMP2MMP9ALDH1A1POLBMMP13
SCHEMBL7422337 0.79 MMP2 (0.62) MMP2MMP9ALDH1A1POLBMMP13
SCHEMBL7422335 0.79 MMP2 (0.62) MMP2MMP9ALDH1A1POLBMMP13
SCHEMBL6390804 0.76 ADAMTS4 (0.64) MMP2MMP9ALDH1A1POLBMMP13
SCHEMBL6390801 0.76 ADAMTS4 (0.64) MMP2MMP9ALDH1A1POLBMMP13
SCHEMBL6075462 0.75 MMP2 (0.53) MMP2MMP9ALDH1A1POLBMMP13
SCHEMBL7245010 0.73 MMP2 (0.55) MMP2MMP9ALDH1A1POLBMMP13
SCHEMBL16463142 0.73 MMP2 (0.55) MMP2MMP9ALDH1A1POLBMMP1
SCHEMBL6323453 0.73 MMP2 (0.73) MMP2MMP9ALDH1A1POLBMMP13
SCHEMBL6323452 0.73 MMP2 (0.73) MMP2MMP9ALDH1A1POLBMMP13

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923561-B1 HETEROCYCLIC METALLOPROTEASE INHIBITORS PROCTER & GAMBLE (US) 2002-10-23 EP disclosed
US-6399598-B1 ORAL DISEASES; RHEUMATIC DISEASES; OSTEOPOROSIS THE PROCTER & GAMBLE COMPANY 2002-06-04 US disclosed
US-6121258-A FOR TREATMENT OF ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS, SKIN DISORDERS, OCULAR DISORDERS, INFLAMMATION, GUM DISEASE THE PROCTER & GAMBLE COMPANY (US) 2000-09-19 US disclosed
EP-0923561-A1 HETEROCYCLIC METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-06-23 EP disclosed
WO-1998008823-A1 HETEROCYCLIC METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1998-03-05 WO disclosed