SCHEMBL8020649

SCHEMBL8020649

COc1ccc(S(=O)(=O)N(Cc2cc(C)ccc2N)C(CO)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.53
NFE2L2 Q16236 2/20 0.53
BMP1 P13497 7/20 0.50
MMP13 P45452 5/20 0.47
MMP1 P03956 3/20 0.47
MMP8 P22894 3/20 0.47
MMP7 P09237 1/20 0.47
MMP12 P39900 1/20 0.47
MMP9 P14780 6/20 0.46
MMP2 P08253 3/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 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
SCHEMBL6610164 0.91 BMP1 (0.48) KEAP1NFE2L2BMP1MMP13MMP1
SCHEMBL6608765 0.87 KEAP1 (0.64) KEAP1NFE2L2BMP1MMP13MMP1
SCHEMBL6608519 0.78 MMP1 (0.55) KEAP1NFE2L2BMP1MMP13MMP1
SCHEMBL5655796 0.78 KEAP1 (0.56) KEAP1NFE2L2BMP1MMP13MMP1
SCHEMBL6611402 0.76 MMP1 (0.68) KEAP1NFE2L2BMP1MMP13MMP1
SCHEMBL22252093 0.75 KEAP1 (0.71) KEAP1NFE2L2BMP1MMP13MMP1
SCHEMBL6609943 0.75 MMP1 (0.47) KEAP1NFE2L2BMP1MMP13MMP1
SCHEMBL22252350 0.73 KEAP1 (0.74) KEAP1NFE2L2BMP1MMP13MMP1
SCHEMBL8843343 0.70 TAS2R14 (0.57) KEAP1NFE2L2BMP1MMP13MMP1
SCHEMBL6609435 0.70 KEAP1 (0.60) KEAP1NFE2L2BMP1MMP13MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6071903-A ENZYME INHIBITORS OF MATRIX METALLOPROTEINASES (MMPS); ANTITUMOR,-CARCINOGENIC AND -ARTHRITIC AGENTS; OSTEOARTHRITIS; RHEUMATOID DISEASES; DEGENERATIVE CARTILAGE LOSS; LONG-ACTING, ORALLY BIOAVAILABLE NONPEPTIDE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-06-06 US disclosed