SCHEMBL6992425

SCHEMBL6992425

CC(C)(C)OC(=O)NC(=N)c1ccc(C2=NOC(CC(=O)O)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 8/20 0.57
▸ ITGB3 P05106 11/20 0.56
▸ ITGA2B P08514 11/20 0.56
▸ ITGB2 P05107 2/20 0.51
▸ ITGAM P11215 2/20 0.51
▸ F2 P00734 1/20 0.49
▸ F10 P00742 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL7371172 0.83 MIF (0.62) MIFITGB3ITGA2BF2F10
SCHEMBL7369874 0.74 KDM1A (0.34) F2
SCHEMBL7793872 0.74 KDM1A (0.34) F2
SCHEMBL667518 0.74 MIF (1.00) MIFITGB3ITGA2BHDAC6
SCHEMBL7376142 0.73 ITGB3 (0.44) MIFITGB3ITGA2B
SCHEMBL667932 0.73 MIF (1.00) MIFHDAC6
SCHEMBL1535896 0.73 MIF (1.00) MIFHDAC6
SCHEMBL668842 0.73 MIF (1.00) MIFHDAC6
Vgx-1027 SCHEMBL1404343 0.73 MIF (0.78) MIFITGB3ITGA2BHDAC6
Vgx-1027 SCHEMBL1414048 0.73 MIF (0.78) MIFITGB3ITGA2BHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832076-B1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-07-16 — — EP disclosed
EP-0832077-B1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-11-14 — — EP disclosed
EP-0730590-B1 ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-01-17 — — EP disclosed
US-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 — — US disclosed
EP-0970950-A2 Novel isoxazoline and isoxazole fibrinogen receptor antagonists DuPont Pharmaceuticals Company (US) 2000-01-12 — — EP disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 — — US disclosed
US-5811441-A INHIBITION OF PLATELET AGGREGATION; TREATMENT OF AUTOIMMUNE DISEASES THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 — — US disclosed
EP-0832077-A1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 — — EP disclosed
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 — — EP disclosed
WO-1996037482-A1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 — — WO disclosed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 — — EP disclosed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 — — WO disclosed
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