SCHEMBL7313417

SCHEMBL7313417

Cc1c(N)c(C)c(S(=O)(=O)c2ccc(OC(C)C)cc2)c(C(=O)NO)c1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.39
MMP13 P45452 11/20 0.38
MMP9 P14780 9/20 0.38
MMP2 P08253 9/20 0.38
MMP14 P50281 8/20 0.38
MMP8 P22894 7/20 0.38
MMP12 P39900 7/20 0.38
MMP16 P51512 7/20 0.38
MMP3 P08254 7/20 0.38
MMP1 P03956 7/20 0.38
ADAM17 P78536 1/20 0.38
NAMPT P43490 1/20 0.38
ADAMTS4 O75173 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
CTRC Q99895 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL7323399 0.89 MMP9 (0.49) MMP13MMP9MMP2MMP14MMP8
SCHEMBL7316684 0.89 MMP9 (0.46) MMP13MMP9MMP2MMP14MMP8
SCHEMBL7317445 0.88 MMP13 (0.45) CNR2MMP13MMP9MMP2MMP14
SCHEMBL7319249 0.86 MMP13 (0.43) MMP13MMP9MMP2MMP14MMP8
SCHEMBL7317152 0.85 MMP1 (0.38) MMP13MMP9MMP2MMP14MMP8
SCHEMBL7325505 0.82 MMP9 (0.46) MMP13MMP9MMP2MMP14MMP8
SCHEMBL7316165 0.82 MMP9 (0.48) MMP13MMP9MMP2MMP14MMP8
SCHEMBL7319004 0.82 MMP9 (0.48) MMP13MMP9MMP2MMP14MMP8
SCHEMBL7321847 0.81 MMP13 (0.44) MMP13MMP9MMP2MMP14MMP8
SCHEMBL7310752 0.81 MMP9 (0.47) MMP13MMP9MMP2MMP14MMP1

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