SCHEMBL7315996

SCHEMBL7315996

CCCCCCCCCCC#Cc1c(C)c(C(=O)NO)c(S(=O)(=O)c2ccc(OC)cc2)c(C)c1N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.42
MMP1 P03956 9/20 0.42
MMP3 P08254 9/20 0.42
MMP9 P14780 13/20 0.41
MMP13 P45452 12/20 0.41
ADAM17 P78536 4/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MMP8 P22894 6/20 0.40
MMP12 P39900 6/20 0.40
MMP14 P50281 6/20 0.40
MMP16 P51512 6/20 0.40
ALDH1A1 P00352 1/20 0.36
MMP7 P09237 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMPD1 P17405 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 0.91 MMP1 (0.39) MMP2MMP1MMP3MMP9MMP13
SCHEMBL7322755 0.90 MMP2 (0.40) MMP2MMP1MMP3MMP9MMP13
SCHEMBL7322141 0.85 MMP9 (0.45) MMP2MMP1MMP3MMP9MMP13
SCHEMBL7324134 0.81 MMP1 (0.40) MMP2MMP1MMP3MMP9MMP13
SCHEMBL7318226 0.78 MMP13 (0.53) MMP2MMP1MMP3MMP9MMP13
SCHEMBL7321501 0.78 MMP3 (0.50) MMP2MMP1MMP3MMP9MMP13
SCHEMBL7312522 0.76 MMP13 (0.46) MMP2MMP1MMP3MMP9MMP13
SCHEMBL7311930 0.76 MMP13 (0.48) MMP2MMP1MMP3MMP9MMP13
SCHEMBL7323861 0.74 MMP2 (0.41) MMP2MMP1MMP3MMP9MMP13
SCHEMBL7317836 0.74 PLA2G2A (0.39) 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