SCHEMBL7316366

SCHEMBL7316366

CCN(CC)Cc1c(NC)ccc(C(=O)O)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.42
MMP9 P14780 3/20 0.42
MMP1 P03956 2/20 0.42
ADAM17 P78536 1/20 0.42
MMP12 P39900 3/20 0.41
TAS2R14 Q9NYV8 3/20 0.41
MMP2 P08253 2/20 0.39
MMP8 P22894 2/20 0.39
MMP14 P50281 2/20 0.39
MMP16 P51512 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 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
SCHEMBL7311423 0.92 KDM4E (0.43) MMP13MMP9MMP1ADAM17MMP12
SCHEMBL7315181 0.78 LMNA (0.42) MMP13MMP9MMP1ADAM17MMP12
SCHEMBL7316231 0.78 MMP1 (0.44) MMP13MMP9MMP1ADAM17ALDH1A1
SCHEMBL7311630 0.70 LMNA (0.51) MMP13MMP9MMP1MMP12MMP2
SCHEMBL7311811 0.69 MMP9 (0.42) MMP13MMP9MMP1ADAM17MMP12
SCHEMBL7323234 0.69 MMP1 (0.44) MMP13MMP9MMP1ADAM17ALDH1A1
SCHEMBL7322302 0.68 MMP9 (0.42) MMP13MMP9MMP1ADAM17MMP12
SCHEMBL7316400 0.68 MMP9 (0.54) MMP13MMP9MMP1ADAM17MMP12
SCHEMBL27529783 0.67 MMP9 (0.62) MMP13MMP9MMP1ADAM17MMP12
SCHEMBL8962292 0.66 POLB (0.68) MMP13MMP9MMP12MMP2MMP8

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