SCHEMBL8129068

SCHEMBL8129068

CC(C)(C)OC(=O)NC(=N)c1ccc([C@@H]2C[C@H](CC(=O)C(N)(CN)C(=O)O)ON2)cc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.31
▸ PPARG P37231 2/20 0.30
▸ PPARD Q03181 2/20 0.30
▸ PPARA Q07869 2/20 0.30

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 0.88 KDM1A (0.34) KDM1APPARGPPARDPPARA
SCHEMBL7793872 0.88 KDM1A (0.34) KDM1APPARGPPARDPPARA
SCHEMBL8124835 0.88 MASP2 (0.31) —
SCHEMBL7370488 0.85 KDM1A (0.33) KDM1A
SCHEMBL8121928 0.82 F2 (0.30) —
SCHEMBL8114641 0.82 ITGB3 (0.32) —
SCHEMBL7378464 0.80 MASP2 (0.34) KDM1A
SCHEMBL7373695 0.74 ITGB3 (0.32) —
SCHEMBL7835225 0.73 ITGB3 (0.32) —
SCHEMBL8128230 0.72 KDM4E (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970950-A2 Novel isoxazoline and isoxazole fibrinogen receptor antagonists DuPont Pharmaceuticals Company (US) 2000-01-12 — — EP disclosed
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