SCHEMBL7322116

SCHEMBL7322116

COc1ccc(S(=O)(=O)c2c(C)c(N)c(CCc3ccc(-c4ccccc4)cc3)c(C)c2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.46
MMP2 P08253 9/20 0.46
MMP12 P39900 9/20 0.46
MMP13 P45452 7/20 0.46
MMP8 P22894 6/20 0.46
MMP14 P50281 6/20 0.46
MMP16 P51512 6/20 0.46
MMP3 P08254 5/20 0.46
MMP1 P03956 4/20 0.46
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
BMP1 P13497 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
TP53 P04637 2/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40

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
SCHEMBL7322299 0.91 MMP9 (0.50) MMP9MMP2MMP12MMP13MMP8
SCHEMBL7323861 0.82 MMP2 (0.41) MMP9MMP2MMP12MMP13MMP8
SCHEMBL7320215 0.80 MMP2 (0.45) MMP9MMP2MMP12MMP13MMP8
Biphenyl SCHEMBL7320212 0.79 MMP2 (0.45) MMP9MMP2MMP12MMP13MMP8
SCHEMBL7322659 0.79 MMP2 (0.47) MMP9MMP2MMP12MMP13MMP8
SCHEMBL7323700 0.78 RAPGEF4 (0.48) MMP9MMP2MMP12MMP13MMP8
SCHEMBL7319935 0.77 NAMPT (0.48) MMP9MMP2MMP13MMP1ALDH1A1
SCHEMBL7322985 0.76 MMP2 (0.45) MMP9MMP2MMP12MMP13MMP8
SCHEMBL7311552 0.76 RAPGEF4 (0.41) MMP9MMP2MMP12MMP13MMP8
SCHEMBL7317729 0.76 RAPGEF4 (0.43) MMP9MMP2MMP12MMP13MMP8

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-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed