SCHEMBL7370488

SCHEMBL7370488

COC(=O)CC1CC(c2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)NO1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.33
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ MASP2 O00187 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ MIF P14174 4/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ RORC P51449 5/20 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
SCHEMBL7369874 0.91 KDM1A (0.34) KDM1AMAOAMAOBMASP2F2
SCHEMBL7793872 0.91 KDM1A (0.34) KDM1AMAOAMAOBMASP2F2
SCHEMBL8121928 0.86 F2 (0.30) F2
SCHEMBL8129068 0.85 KDM1A (0.31) KDM1A
SCHEMBL8124835 0.84 MASP2 (0.31) MASP2
SCHEMBL7790925 0.81 ITGB3 (0.39) F2MIFHDAC6
SCHEMBL7372378 0.81 ITGB3 (0.39) F2MIFHDAC6
SCHEMBL7373695 0.77 ITGB3 (0.32) MAOAMAOBF2
SCHEMBL22907553 0.77 MIF (0.48) MIFHDAC6
SCHEMBL7378464 0.75 MASP2 (0.34) KDM1AMASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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