SCHEMBL7369874

SCHEMBL7369874

CC(C)(C)OC(=O)NC(=N)c1ccc(C2CC(CC(=O)O)ON2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.34
▸ MAOB P27338 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MASP2 O00187 6/20 0.33
▸ RORC P51449 3/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ PPARG P37231 4/20 0.31
▸ PPARA Q07869 4/20 0.31
▸ PPARD Q03181 2/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ IDO1 P14902 1/20 0.31

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
SCHEMBL7793872 1.00 KDM1A (0.34) KDM1AMAOBMAOAMASP2RORC
SCHEMBL7370488 0.91 KDM1A (0.33) KDM1AMAOBMAOAMASP2RORC
SCHEMBL8129068 0.88 KDM1A (0.31) KDM1APPARGPPARAPPARD
SCHEMBL8124835 0.86 MASP2 (0.31) MASP2
SCHEMBL8121928 0.84 F2 (0.30) F2
SCHEMBL7373695 0.78 ITGB3 (0.32) MAOBMAOAF2
SCHEMBL7378464 0.77 MASP2 (0.34) KDM1AMASP2
SCHEMBL7835225 0.76 ITGB3 (0.32) —
SCHEMBL6992425 0.74 MIF (0.57) F2
SCHEMBL9054212 0.73 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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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