SCHEMBL7319993

SCHEMBL7319993

COc1ccc(-c2ccc(S(=O)(=O)c3ncccc3CNc3c(C)cccc3C(=O)NO)cc2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 13/20 0.41
MMP13 P45452 13/20 0.41
MMP1 P03956 11/20 0.41
MMP2 P08253 4/20 0.41
MMP8 P22894 4/20 0.41
MMP12 P39900 4/20 0.41
MMP14 P50281 4/20 0.41
MMP16 P51512 4/20 0.41
MMP3 P08254 3/20 0.41
ADAM17 P78536 8/20 0.40
MAPK8 P45983 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL7318787 0.90 MMP13 (0.48) MMP9MMP13MMP1MMP2MMP8
SCHEMBL7324855 0.83 MMP9 (0.48) MMP9MMP13MMP1MMP2MMP8
Hydrochloric Acid SCHEMBL7319131 0.82 MMP9 (0.47) MMP9MMP13MMP1MMP2MMP8
SCHEMBL7321745 0.82 MMP13 (0.49) MMP9MMP13MMP1MMP2MMP8
SCHEMBL7311156 0.81 KDM4E (0.44) MMP9MMP13MMP1MMP2MMP8
SCHEMBL7322262 0.81 LMNA (0.43) MMP9MMP13MMP1MMP2MMP8
SCHEMBL7310011 0.81 MMP13 (0.51) MMP9MMP13MMP1MMP2MMP8
SCHEMBL7320602 0.80 MMP9 (0.47) MMP9MMP13MMP1MMP2MMP8
SCHEMBL7322248 0.80 MMP13 (0.43) MMP9MMP13MMP1MMP2MMP8
Hydrochloric Acid SCHEMBL7323688 0.79 MMP13 (0.51) MMP9MMP13MMP1MMP2MMP8

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