SCHEMBL6445875

SCHEMBL6445875

CCCCOC(=O)NCCCC(NC(=O)OCc1ccccc1)C(=O)N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 17/20 0.58
F13A1 P00488 2/20 0.54
TGM1 P22735 2/20 0.54
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
TGM6 O95932 1/20 0.53
CTSL P07711 1/20 0.52
CTSS P25774 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT1 Q96EB6 1/20 0.52

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
SCHEMBL2691897 0.86 SIRT2 (0.67) TGM2ITGB3CTSLCTSSSIRT2
SCHEMBL13598866 0.86 ITGB3 (0.65) TGM2F13A1TGM1ITGB3ITGA2B
SCHEMBL6766563 0.86 ITGB3 (0.65) TGM2F13A1TGM1ITGB3ITGA2B
SCHEMBL5712251 0.86 ITGB3 (0.70) TGM2F13A1TGM1ITGB3ITGA2B
SCHEMBL209612 0.83 SIRT2 (0.71) TGM2ITGB3CTSLCTSSSIRT2
SCHEMBL14357907 0.82 SIRT2 (0.72) CTSLCTSSSIRT2SIRT1
SCHEMBL6769423 0.81 TGM2 (0.60) TGM2F13A1TGM1TGM6
SCHEMBL7294359 0.81 DPP4 (0.58) TGM2F13A1TGM1TGM6
SCHEMBL6860647 0.81 TGM2 (0.69) TGM2F13A1TGM1TGM6
SCHEMBL6860643 0.81 TGM2 (0.69) TGM2F13A1TGM1TGM6

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-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP disclosed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 WO disclosed