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SCHEMBL6257599

SCHEMBL6257599

Cc1ccc(Cn2c(=O)c3cc(C(=O)OCc4ccccc4)sc3n(C)c2=O)cc1.Cn1c(=O)n(CCc2ccccc2)c(=O)c2cc(C(=O)OCc3ccccc3)sc21.Cn1c(=O)n(Cc2ccc(S(C)(=O)=O)cc2)c(=O)c2cc(C(=O)OCc3ccccc3)sc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ HDAC1 Q13547 3/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ PTGDR2 Q9Y5Y4 3/20 0.42
▸ TRPA1 O75762 1/20 0.41
▸ MAPK8 P45983 3/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PARG Q86W56 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC2 Q92769 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
SCHEMBL6260002 0.93 MAPK8 (0.46) PTGDR2TRPA1MAPK8MMP13MAPK9
SCHEMBL6470802 0.90 TRPA1 (0.48) LMNAHDAC1HDAC6HDAC11HDAC8
SCHEMBL6730347 0.86 CA2 (0.45) MMP13PARG
SCHEMBL6252686 0.85 MMP13 (0.53) LMNATRPA1MMP13MAPTTSHR
SCHEMBL6258180 0.85 MAPT (0.46) LMNAHDAC1HDAC6HDAC11HDAC8
SCHEMBL6725667 0.85 TRPA1 (0.47) LMNAHDAC1HDAC6HDAC11HDAC8
SCHEMBL6916619 0.84 PARG (0.45) TRPA1MAPK8MMP13MAPTMAPK9
SCHEMBL6914087 0.84 MMP13 (0.44) PTGDR2TRPA1MMP13TSHRPARG
SCHEMBL6730796 0.84 MMP13 (0.49) LMNATRPA1MMP13MAPTTSHR
SCHEMBL6533924 0.84 MMP13 (0.49) LMNAHDAC1HDAC6HDAC11HDAC8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1536786-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 — — EP disclosed
EP-1531904-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-25 — — EP disclosed
WO-2004007024-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 — — WO disclosed
WO-2004006913-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 — — WO disclosed