SCHEMBL7322141

SCHEMBL7322141

CCCCCCCCCCCCc1c(C)c(C(=O)NO)c(S(=O)(=O)c2ccc(OC)cc2)c(C)c1N

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 11/20 0.45
MMP13 P45452 10/20 0.45
MMP1 P03956 8/20 0.45
ADAM17 P78536 3/20 0.45
MMP2 P08253 9/20 0.44
MMP8 P22894 5/20 0.44
MMP12 P39900 5/20 0.44
MMP14 P50281 5/20 0.44
MMP16 P51512 5/20 0.44
MMP3 P08254 9/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP7 P09237 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL7323861 0.89 MMP2 (0.41) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7315996 0.85 MMP2 (0.42) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7312522 0.85 MMP13 (0.46) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7318226 0.83 MMP13 (0.53) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7311930 0.82 MMP13 (0.48) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7322299 0.82 MMP9 (0.50) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7317379 0.78 MMP13 (0.50) MMP9MMP13MMP1ADAM17
SCHEMBL7323459 0.77 LMNA (0.41) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7324085 0.76 HTT (0.43) MMP9MMP13MMP1MMP2MMP8
SCHEMBL7323399 0.76 MMP9 (0.49) MMP9MMP13MMP1ADAM17MMP2

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