SCHEMBL7510496

SCHEMBL7510496

NC(CC#Cc1ccccc1)(C(=O)O)S(=O)(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.58
MMP13 P45452 2/20 0.58
MMP1 P03956 1/20 0.58
MMP3 P08254 1/20 0.58
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
SLC13A5 Q86YT5 1/20 0.40
EDNRB P24530 2/20 0.40
EDNRA P25101 2/20 0.40
SCD5 Q86SK9 2/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
KIF11 P52732 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
PRKCZ Q05513 1/20 0.38

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
SCHEMBL7898486 0.90 MMP2 (0.56) MMP2MMP13MMP1MMP3CA12
SCHEMBL7509067 0.81 MMP2 (0.52) MMP2MMP13MMP1MMP3CA12
SCHEMBL7508943 0.79 MMP2 (0.53) MMP2MMP13MMP1MMP3CA12
SCHEMBL7516820 0.78 MMP13 (0.54) MMP2MMP13MMP1MMP3CA12
SCHEMBL7506986 0.77 MMP2 (0.60) MMP2MMP13MMP1MMP3SLC13A5
SCHEMBL7509277 0.75 MMP2 (0.51) MMP2MMP13MMP1MMP3CA12
SCHEMBL7903544 0.75 MMP13 (0.57) MMP2MMP13MMP1MMP3CA12
SCHEMBL7510485 0.73 MMP13 (1.00) MMP2MMP13MMP1MMP3
SCHEMBL7510267 0.71 MMP13 (0.45) MMP2MMP13MMP1MMP3CA12
SCHEMBL7502706 0.70 MMP13 (0.50) MMP2MMP13MMP1MMP3CA12

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