SCHEMBL7898486

SCHEMBL7898486

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.56
MMP13 P45452 3/20 0.56
MMP1 P03956 2/20 0.56
MMP3 P08254 2/20 0.56
CA12 O43570 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7510496 0.90 MMP2 (0.58) MMP2MMP13MMP1MMP3CA12
SCHEMBL7502706 0.83 MMP13 (0.50) MMP2MMP13MMP1MMP3CA12
SCHEMBL7502278 0.83 MMP13 (0.55) MMP2MMP13MMP1MMP3CA12
SCHEMBL7572580 0.79 MMP13 (0.39) MMP2MMP13MMP1MMP3CA12
SCHEMBL7502964 0.78 MMP13 (0.50) MMP2MMP13MMP1MMP3CA12
SCHEMBL7587417 0.77 ALDH1A1 (0.41) CA12CA2CA9MEN1KMT2A
SCHEMBL7451387 0.74 MMP13 (0.83) MMP2MMP13MMP1MMP3MMP9
SCHEMBL7516820 0.74 MMP13 (0.54) MMP2MMP13MMP1MMP3CA12
SCHEMBL7456196 0.73 MMP2 (0.35) MMP2MMP13MMP1MMP3CA12
SCHEMBL7450645 0.72 MMP13 (0.44) MMP2MMP13MMP1MMP3MEN1

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-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US disclosed