SCHEMBL7376146

SCHEMBL7376146

CC(C)(C)OC(=O)c1ccc(C2CC(CC(=O)O)=NO2)c(C(=N)N)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 5/20 0.36
▸ ITGA2B P08514 5/20 0.36
▸ SLC7A5 Q01650 1/20 0.35
▸ F2 P00734 9/20 0.35
▸ TMPRSS6 Q8IU80 5/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ PRSS1 P07477 1/20 0.31
▸ TMPRSS15 P98073 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ITGB2 P05107 1/20 0.31
▸ ITGAM P11215 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
SCHEMBL7371385 0.81 SLC7A5 (0.34) SLC7A5F2TMPRSS6ALOX15SIRT2
SCHEMBL8624145 0.81 F2 (0.33) ITGB3ITGA2BSLC7A5F2TMPRSS6
SCHEMBL6992431 0.72 SLC7A5 (0.35) ITGB3ITGA2BSLC7A5F2TMPRSS6
SCHEMBL7376142 0.71 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL8175787 0.70 SLC7A5 (0.42) SLC7A5F2TMPRSS6ALOX15PRSS1
SCHEMBL8382921 0.67 ITGB3 (0.43) ITGB3ITGA2BSLC7A5F2TMPRSS6
SCHEMBL4901667 0.64 SLC7A5 (0.52) SLC7A5F2TMPRSS6PRSS1
SCHEMBL4900034 0.63 CA12 (0.54) ITGB3ITGA2BF2TMPRSS6PRSS1
SCHEMBL6563518 0.63 ALOX15 (0.40) SLC7A5F2TMPRSS6ALOX15PRSS1
SCHEMBL1003573 0.62 SLC7A5 (0.48) SLC7A5ALOX15ALDH1A1

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
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
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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