SCHEMBL7449909

SCHEMBL7449909

COc1ccc2[nH]c(C(=O)Nc3ccc(S(=O)(=O)NC(CC#CCOc4ccccc4)C(=O)O)cc3)cc2c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.74
MMP13 P45452 13/20 0.74
MMP3 P08254 12/20 0.74
BCAT1 P54687 1/20 0.54
MMP1 P03956 4/20 0.51
MMP14 P50281 2/20 0.50
MMP9 P14780 2/20 0.50
MMP8 P22894 1/20 0.50
ADAM17 P78536 1/20 0.50
ITGB3 P05106 3/20 0.49
ITGA2B P08514 3/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ITGAV P06756 1/20 0.48
ITGB5 P18084 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
SCHEMBL7555096 0.95 MMP2 (0.66) MMP2MMP13MMP3BCAT1MMP1
SCHEMBL7454871 0.85 MMP2 (1.00) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7454899 0.80 MMP2 (0.88) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7508942 0.79 MMP13 (0.80) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7450983 0.76 MMP2 (1.00) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7451531 0.75 MMP13 (0.80) MMP2MMP13MMP3MMP1MMP9
SCHEMBL9410579 0.74 NPC1 (0.74) BCAT1NPC1RAB9A
SCHEMBL7446562 0.74 MMP13 (0.74) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7899829 0.73 MMP2 (0.74) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7455165 0.70 MMP13 (0.69) MMP2MMP13MMP3MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US claimed
EP-1165501-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP disclosed
US-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US disclosed
WO-2000051975-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 WO disclosed