SCHEMBL7413161

SCHEMBL7413161

CCCCOc1ccc(S(=O)(=O)N[C@H](CCCCN)C(=O)NO)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.53
MMP9 P14780 5/20 0.53
MMP14 P50281 4/20 0.53
ADAM10 O14672 4/20 0.53
ADAM17 P78536 4/20 0.53
ADAM8 P78325 3/20 0.53
MMP12 P39900 2/20 0.53
MMP1 P03956 3/20 0.53
MMP13 P45452 2/20 0.53
ADAMTS4 O75173 1/20 0.53
ADAMTS5 Q9UNA0 1/20 0.53
MMP3 P08254 1/20 0.52
ITGB3 P05106 4/20 0.50
ITGA2B P08514 4/20 0.50
BMP1 P13497 3/20 0.48
MMP7 P09237 1/20 0.47

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
SCHEMBL7464064 0.89 MMP13 (0.57) MMP2MMP9MMP14ADAM10ADAM17
SCHEMBL7413144 0.87 BMP1 (0.60) MMP2MMP9MMP14ADAM10ADAM17
SCHEMBL7411093 0.86 MMP13 (0.60) MMP2MMP9MMP14ADAM10ADAM17
SCHEMBL3937333 0.85 ADAM17 (0.67) MMP2MMP9MMP14ADAM10ADAM17
SCHEMBL31086993 0.84 MMP13 (0.57) MMP2MMP9MMP14ADAM10ADAM17
SCHEMBL1800019 0.83 MMP2 (0.62) MMP2MMP9MMP14ADAM10ADAM17
SCHEMBL1802607 0.82 MMP2 (0.52) MMP2MMP9MMP14ADAM10ADAM17
SCHEMBL7409720 0.82 MMP9 (0.60) MMP2MMP9MMP14ADAM10ADAM17
SCHEMBL3948016 0.82 ADAM17 (0.68) MMP2MMP9MMP14ADAM10ADAM17
SCHEMBL2922135 0.82 ITGB3 (0.52) MMP2MMP9MMP13MMP3ITGB3

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
US-6218389-B1 FOR THERAPY AND PROPHYLAXIS OF ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS; SKIN DISORDERS; OCULAR DISORDERS; INFLAMMATION AND GUM DISEASES, MULTIPLE SCLEROSIS, CACHEXIA, PREVENTING LOOSENING OF PROSTHETIC DEVICES THE PROCTER & GAMBLE CO. 2001-04-17 US disclosed
EP-1009737-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-06-21 EP disclosed
WO-1999006340-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-02-11 WO disclosed