SCHEMBL7480347

SCHEMBL7480347

COc1ccc(S(=O)(=O)N2CN(Cc3ccccc3)C(=O)C[C@@H]2C(=O)O)cc1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.81
MMP1 P03956 10/20 0.81
MMP9 P14780 10/20 0.81
MMP3 P08254 10/20 0.81
MMP8 P22894 9/20 0.81
MMP7 P09237 6/20 0.68
MMP13 P45452 2/20 0.54
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL7480352 1.00 MMP2 (0.81) MMP2MMP1MMP9MMP3MMP8
SCHEMBL7483182 0.92 MMP1 (0.79) MMP2MMP1MMP9MMP3MMP8
SCHEMBL4312415 0.90 MMP1 (1.00) MMP2MMP1MMP9MMP3MMP8
SCHEMBL7479388 0.89 MMP1 (0.75) MMP2MMP1MMP9MMP3MMP8
SCHEMBL7428159 0.86 MMP1 (0.80) MMP2MMP1MMP9MMP3MMP8
SCHEMBL7664941 0.84 MMP2 (0.60) MMP2MMP1MMP9MMP3MMP8
SCHEMBL5639168 0.77 MMP1 (0.61) MMP2MMP1MMP9MMP3MMP8
SCHEMBL6608718 0.76 MMP1 (0.60) MMP2MMP1MMP9MMP3MMP8
SCHEMBL7480845 0.76 MMP1 (0.58) MMP2MMP1MMP9MMP3MMP8
SCHEMBL5636276 0.76 MMP1 (0.73) MMP2MMP1MMP9MMP3MMP8

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 3 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