SCHEMBL7322755

SCHEMBL7322755

CCCCCCCCCCC#Cc1c(C)c(C(=O)O)c(S(=O)(=O)c2ccc(OC)cc2)c(C)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.40
MMP1 P03956 3/20 0.40
MMP3 P08254 2/20 0.40
MMP9 P14780 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MMP13 P45452 3/20 0.37
ADAM17 P78536 2/20 0.37
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.35
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
MMP14 P50281 1/20 0.35
MMP16 P51512 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 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
SCHEMBL7324791 0.92 MMP1 (0.39) MMP2MMP1MMP3MMP9CA1
SCHEMBL7315996 0.90 MMP2 (0.42) MMP2MMP1MMP3MMP9CA1
SCHEMBL7323861 0.84 MMP2 (0.41) MMP2MMP1MMP3MMP9CA1
SCHEMBL7314660 0.81 MMP2 (0.37) MMP2MMP1MMP3MMP9MMP13
SCHEMBL7320215 0.77 MMP2 (0.45) MMP2MMP1MMP3MMP9MMP13
SCHEMBL7323700 0.77 RAPGEF4 (0.48) MMP2MMP1MMP3MMP9MMP13
SCHEMBL7317836 0.76 PLA2G2A (0.39) MMP2MMP1MMP3MMP9MMP13
SCHEMBL7311552 0.74 RAPGEF4 (0.41) MMP2MMP1MMP3MMP9MMP13
SCHEMBL7324134 0.74 MMP1 (0.40) MMP2MMP1MMP3MMP9MMP13
SCHEMBL7317729 0.74 RAPGEF4 (0.43) MMP2MMP1MMP3MMP9MMP13

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