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SCHEMBL27458424

SCHEMBL27458424

CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(=O)N1CC(OCc2ccccc2)C[C@H]1C(=O)NC(C=O)CC(=O)O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.46
▸ CASP1 P29466 4/20 0.45
▸ CASP3 P42574 2/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ CASP9 P55211 1/20 0.44
▸ SLC6A2 P23975 1/20 0.42
▸ KEAP1 Q14145 2/20 0.41
▸ ITGB1 P05556 4/20 0.41
▸ ITGA4 P13612 4/20 0.41

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
SCHEMBL12914512 1.00 OPRM1 (0.46) OPRM1CASP1CASP3CASP7CASP9
SCHEMBL645812 1.00 OPRM1 (0.46) OPRM1CASP1CASP3CASP7CASP9
SCHEMBL14369995 0.94 OPRM1 (0.47) OPRM1CASP1CASP3CASP7CASP9
SCHEMBL646810 0.92 OPRM1 (0.43) OPRM1SLC6A2
SCHEMBL27501505 0.92 OPRM1 (0.43) OPRM1SLC6A2
SCHEMBL950239 0.92 CASP1 (0.44) OPRM1CASP1CASP3CASP7CASP9
SCHEMBL12914541 0.92 CASP1 (0.44) OPRM1CASP1CASP3CASP7CASP9
SCHEMBL949078 0.91 CASP1 (0.44) OPRM1CASP1CASP3CASP7CASP9
SCHEMBL14370020 0.91 CASP1 (0.44) OPRM1CASP1CASP3CASP7CASP9
SCHEMBL949079 0.91 CASP1 (0.44) OPRM1CASP1CASP3CASP7CASP9

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
CN-1159196-A Inhibitors of interleukin-1'beta' converting enzyme VERTEX PHARMA (US) 1997-09-10 — — CN disclosed
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