SCHEMBL7311138

SCHEMBL7311138

COC(=O)c1c(Cc2cccc(Br)c2)c(C)c(N)c(C)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.39
MMP9 P14780 6/20 0.39
MMP2 P08253 6/20 0.39
MMP14 P50281 6/20 0.39
MMP8 P22894 5/20 0.39
MMP12 P39900 5/20 0.39
MMP16 P51512 5/20 0.39
MMP1 P03956 4/20 0.39
MMP3 P08254 3/20 0.39
ADAM17 P78536 2/20 0.39
PLA2G2A P14555 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
THRB P10828 2/20 0.37

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
SCHEMBL7316064 0.92 MMP9 (0.43) MMP13MMP9MMP2MMP14MMP8
SCHEMBL7325574 0.92 MMP2 (0.40) MMP13MMP9MMP2MMP14MMP8
SCHEMBL7324368 0.92 CA1 (0.42) MMP13MMP9MMP2MMP14MMP8
SCHEMBL7315402 0.89 EGFR (0.45) MMP13MMP9MMP2MMP14MMP8
SCHEMBL7317410 0.88 ALDH1A1 (0.47) MMP13MMP9MMP2MMP14MMP8
SCHEMBL7321847 0.84 MMP13 (0.44) MMP13MMP9MMP2MMP14MMP8
SCHEMBL7313804 0.84 ALDH1A1 (0.45) MMP13MMP9MMP2MMP14MMP8
SCHEMBL7314232 0.84 MMP2 (0.48) MMP13MMP9MMP2MMP14MMP8
SCHEMBL7324058 0.83 NAMPT (0.49) MMP13MMP9MMP1ADAM17ALDH1A1
SCHEMBL7316126 0.83 TAS2R14 (0.45) MMP13MMP9MMP2MMP14MMP8

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