SCHEMBL8124835

SCHEMBL8124835

CC(N)[C@@](N)(C(=O)O)C(=O)C[C@H]1C[C@@H](c2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)NO1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 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
SCHEMBL8129068 0.88 KDM1A (0.31) —
SCHEMBL7793872 0.86 KDM1A (0.34) MASP2
SCHEMBL7369874 0.86 KDM1A (0.34) MASP2
SCHEMBL7370488 0.84 KDM1A (0.33) MASP2
SCHEMBL8121928 0.80 F2 (0.30) —
SCHEMBL7378464 0.76 MASP2 (0.34) MASP2
SCHEMBL7373695 0.75 ITGB3 (0.32) —
SCHEMBL7835225 0.73 ITGB3 (0.32) —
SCHEMBL9054212 0.69 — —
SCHEMBL7372378 0.67 ITGB3 (0.39) —

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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