SCHEMBL31509539

SCHEMBL31509539

CC(C)(C)OC(=O)NCC(=O)NCOCc1ccc(COc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.51
▸ PLA2G4B P0C869 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAOA P21397 1/20 0.43

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
SCHEMBL31509586 0.85 HDAC1 (0.48) MAOBCA12CA1CA2CA9
SCHEMBL31509592 0.85 MAOB (0.54) MAOBPLA2G4BCA12CA1CA2
SCHEMBL26185842 0.84 MAOB (0.58) MAOBPLA2G4BCA12CA1CA2
SCHEMBL13456452 0.80 CA2 (0.49) CA1CA2GAAMAPTALDH1A1
SCHEMBL31509543 0.79 RAB9A (0.49) GAAMAPTALDH1A1
SCHEMBL5723865 0.78 ALDH1A1 (0.65) GAAMAPTALDH1A1
SCHEMBL16817686 0.76 MAPT (0.57) GAAMAPTALDH1A1
SCHEMBL20467732 0.75 HTR2A (0.54) GAAMAPTALDH1A1
SCHEMBL7068808 0.75 BCL9 (0.56) GAAMAPTALDH1A1
SCHEMBL21792430 0.75 MMP1 (0.45) MAPTALDH1A1

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
WO-2025085489-A1 GSPT1-DEGRADING COMPOUNDS, ANTI-CD33 ANTIBODIES AND ANTIBODY-DRUG CONJUGATES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-24 — — WO disclosed
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