SCHEMBL7318787

SCHEMBL7318787

COc1ccc(S(=O)(=O)c2ncccc2CNc2c(C)cccc2C(=O)NO)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.48
MMP9 P14780 17/20 0.48
MMP2 P08253 6/20 0.48
MMP8 P22894 6/20 0.48
MMP12 P39900 6/20 0.48
MMP14 P50281 6/20 0.48
MMP16 P51512 6/20 0.48
MMP1 P03956 16/20 0.47
ADAM17 P78536 12/20 0.47
MMP3 P08254 5/20 0.46
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL7324855 0.91 MMP9 (0.48) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7311156 0.91 KDM4E (0.44) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7322262 0.91 LMNA (0.43) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7321745 0.90 MMP13 (0.49) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7320602 0.90 MMP9 (0.47) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7319993 0.90 MMP9 (0.41) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7310011 0.88 MMP13 (0.51) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7317370 0.88 MMP9 (0.44) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7322248 0.88 MMP13 (0.43) MMP13MMP9MMP2MMP8MMP12
Hydrochloric Acid SCHEMBL7319131 0.87 MMP9 (0.47) MMP13MMP9MMP2MMP8MMP12

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