SCHEMBL7322299

SCHEMBL7322299

COc1ccc(S(=O)(=O)c2c(C)c(N)c(CCc3ccc(-c4ccccc4)cc3)c(C)c2C(=O)NO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 12/20 0.50
MMP13 P45452 11/20 0.50
MMP3 P08254 10/20 0.50
MMP2 P08253 9/20 0.50
MMP12 P39900 9/20 0.50
MMP1 P03956 8/20 0.50
MMP8 P22894 8/20 0.50
MMP14 P50281 8/20 0.50
MMP16 P51512 8/20 0.50
BMP1 P13497 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ADAM17 P78536 2/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL7322116 0.91 MMP9 (0.46) MMP9MMP13MMP3MMP2MMP12
SCHEMBL7322141 0.82 MMP9 (0.45) MMP9MMP13MMP3MMP2MMP12
SCHEMBL7321501 0.82 MMP3 (0.50) MMP9MMP13MMP3MMP2MMP12
Biphenyl SCHEMBL7321499 0.80 MMP9 (0.50) MMP9MMP13MMP3MMP2MMP12
SCHEMBL7323399 0.80 MMP9 (0.49) MMP9MMP13MMP3MMP2MMP12
SCHEMBL7318226 0.79 MMP13 (0.53) MMP9MMP13MMP3MMP2MMP12
SCHEMBL7319004 0.78 MMP9 (0.48) MMP9MMP13MMP3MMP2MMP12
SCHEMBL7317379 0.78 MMP13 (0.50) MMP9MMP13MMP1ADAM17
SCHEMBL7312522 0.77 MMP13 (0.46) MMP9MMP13MMP3MMP2MMP12
SCHEMBL7311930 0.76 MMP13 (0.48) MMP9MMP13MMP3MMP2MMP12

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