Sugi Predict

Sugi Predict / Compounds / SCHEMBL6447633

SCHEMBL6447633

SCHEMBL6447633

COC(=O)c1ccc(Cn2c(=O)c3cc(C(=O)NCc4cccc(OC)c4)sc3n(C)c2=O)cc1C.COc1ccc(CNC(=O)c2cc3c(=O)n(CCC(=O)c4ccccc4)c(=O)n(C)c3s2)cc1.COc1cccc(CNC(=O)c2cc3c(=O)n(CCC(=O)c4ccccc4)c(=O)n(C)c3s2)c1.COc1cccc(CNC(=O)c2cc3c(=O)n(CCS(=O)(=O)c4cccc(C(F)(F)F)c4)c(=O)n(C)c3s2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.38
▸ MAPT P10636 6/20 0.37
▸ TP53 P04637 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MMP13 P45452 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
SCHEMBL6733097 0.84 MAPT (0.47) PPARGMAPTTP53GAARXFP1
SCHEMBL6724725 0.83 MAPT (0.45) PPARGMAPTTP53GAARXFP1
SCHEMBL6273021 0.81 MAPT (0.48) MAPTTP53GAARXFP1KDM4E
SCHEMBL6254774 0.78 MAPT (0.53) MAPTTP53GAARXFP1KDM4E
SCHEMBL6468099 0.78 RXFP1 (0.53) MAPTTP53RXFP1KDM4EHPGD
SCHEMBL6255213 0.77 MAPT (0.50) MAPTTP53RXFP1KDM4EHPGD
SCHEMBL6259273 0.77 MAPT (0.51) MAPTTP53RXFP1KDM4EHPGD
SCHEMBL6253497 0.76 MAPT (0.53) MAPTTP53GAARXFP1KDM4E
SCHEMBL6473174 0.75 TP53 (0.51) MAPTTP53GAARXFP1KDM4E
SCHEMBL6433134 0.75 MAPT (0.50) MAPTTP53GAARXFP1KDM4E

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 2 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
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