SCHEMBL7280345

SCHEMBL7280345

COC(=O)C(Cc1ccc(OCCCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.62
ITGA2B P08514 5/20 0.62
YAP1 P46937 3/20 0.60
GPR119 Q8TDV5 9/20 0.60
MMP13 P45452 2/20 0.50
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47

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
SCHEMBL7282956 0.91 YAP1 (0.64) ITGB3ITGA2BYAP1GPR119
SCHEMBL7281620 0.88 YAP1 (0.54) ITGB3ITGA2BYAP1GPR119
SCHEMBL7279791 0.88 ITGB3 (0.63) ITGB3ITGA2BYAP1GPR119
SCHEMBL7280338 0.87 GPR119 (0.51) ITGB3ITGA2BYAP1GPR119MMP13
SCHEMBL7280760 0.86 ITGB3 (0.62) ITGB3ITGA2BYAP1GPR119
SCHEMBL7281055 0.85 ITGB3 (0.71) ITGB3ITGA2BYAP1GPR119
SCHEMBL7442795 0.85 ITGB3 (0.61) ITGB3ITGA2BYAP1GPR119
SCHEMBL7313782 0.85 YAP1 (0.63) ITGB3ITGA2BYAP1GPR119
SCHEMBL7282664 0.84 YAP1 (0.72) ITGB3ITGA2BYAP1GPR119
SCHEMBL7312363 0.83 GPR119 (0.62) ITGB3ITGA2BYAP1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6040317-A AN ANTIAGGLOMERANTS USEFUL IN THE PREVENTION AND TREATMENT OF DISEASES CAUSED BY THROMBUS FORMATION MERCK & CO., INC. (US) 2000-03-21 US disclosed
US-5658929-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-08-19 US disclosed
EP-0478363-B1 Novel sulfonamide fibrinogen receptor antagonists MERCK & CO INC (US) 1997-03-19 EP disclosed
EP-0743302-A2 Sulfonamide fibrinogen receptor antagonists MERCK & CO. INC. (US) 1996-11-20 EP disclosed
US-5292756-A Novel sulfonamide fibrinogen receptor antagonists MERCK & CO., INC. (US) 1994-03-08 US disclosed
WO-1993019046-A1 NOVEL SULFONAMIDE FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1993-09-30 WO disclosed
EP-0478363-A2 Novel sulfonamide fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-01 EP disclosed