SCHEMBL7316841

SCHEMBL7316841

COc1ccc(S(=O)(=O)c2c(C)c(N)c(C)c(Cc3c(F)c(F)c(OC)c(F)c3F)c2C(=O)NO)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.42
MMP9 P14780 8/20 0.42
MMP2 P08253 7/20 0.42
MMP8 P22894 7/20 0.42
MMP12 P39900 7/20 0.42
MMP14 P50281 7/20 0.42
MMP16 P51512 7/20 0.42
MMP1 P03956 7/20 0.40
MMP3 P08254 6/20 0.40
ADAM17 P78536 2/20 0.40
LMNA P02545 6/20 0.39
THRB P10828 1/20 0.39
TP53 P04637 2/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35

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
SCHEMBL7318612 0.89 MMP2 (0.39) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7311930 0.84 MMP13 (0.48) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7323399 0.83 MMP9 (0.49) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7323949 0.83 EGFR (0.44) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7312522 0.82 MMP13 (0.46) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7324634 0.82 MMP9 (0.50) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7321847 0.81 MMP13 (0.44) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7321756 0.81 MMP13 (0.50) MMP13MMP9MMP1ADAM17
SCHEMBL7318226 0.80 MMP13 (0.53) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7316064 0.80 MMP9 (0.43) 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