SCHEMBL7320215

SCHEMBL7320215

COc1ccc(S(=O)(=O)c2c(C)c(N)c(C#Cc3ccc(-c4ccccc4)cc3)c(C)c2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.45
MMP13 P45452 10/20 0.45
MMP9 P14780 9/20 0.45
MMP3 P08254 9/20 0.45
MMP12 P39900 8/20 0.45
MMP8 P22894 7/20 0.45
MMP14 P50281 6/20 0.45
MMP16 P51512 6/20 0.45
MMP1 P03956 5/20 0.43
SLC16A3 O15427 1/20 0.41
GAA P10253 2/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
FFAR2 O15552 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL7314007 0.92 MMP2 (0.43) MMP2MMP13MMP9MMP3MMP12
SCHEMBL7321501 0.91 MMP3 (0.50) MMP2MMP13MMP9MMP3MMP12
Biphenyl SCHEMBL7320212 0.81 MMP2 (0.45) MMP2MMP13MMP9MMP3MMP12
SCHEMBL7322116 0.80 MMP9 (0.46) MMP2MMP13MMP9MMP3MMP12
SCHEMBL7323700 0.78 RAPGEF4 (0.48) MMP2MMP13MMP9MMP3MMP12
SCHEMBL7322755 0.77 MMP2 (0.40) MMP2MMP13MMP9MMP3MMP12
Biphenyl SCHEMBL7313998 0.75 TP53 (0.42) MMP2MMP13MMP9MMP3MMP12
Biphenyl SCHEMBL7321499 0.74 MMP9 (0.50) MMP2MMP13MMP9MMP3MMP12
SCHEMBL7322659 0.72 MMP2 (0.47) MMP2MMP13MMP9MMP3MMP12
SCHEMBL7322299 0.72 MMP9 (0.50) MMP2MMP13MMP9MMP3MMP12

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