SCHEMBL31056284

SCHEMBL31056284

CCOC(=O)c1cnn2ccc(O)c(C=O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.43
▸ HPGD P15428 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TSHR P16473 3/20 0.43
▸ USP2 O75604 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL31056064 0.80 L3MBTL1 (0.39) SMN1; SMN2ALDH1A1HPGDCYP3A4CA12
SCHEMBL16309064 0.78 SMN1; SMN2 (0.51) SMN1; SMN2DRD2DRD4DRD3ALDH1A1
SCHEMBL16309075 0.76 SMN1; SMN2 (0.50) SMN1; SMN2DRD2DRD4DRD3ALDH1A1
SCHEMBL16309072 0.75 SMN1; SMN2 (0.49) SMN1; SMN2DRD2DRD4DRD3ALDH1A1
SCHEMBL26537904 0.75 SMN1; SMN2 (0.49) SMN1; SMN2DRD2DRD4DRD3ALDH1A1
SCHEMBL24712976 0.75 SMN1; SMN2 (0.49) SMN1; SMN2DRD2DRD4DRD3ALDH1A1
SCHEMBL18863880 0.75 ALDH1A1 (0.52) SMN1; SMN2DRD2DRD4DRD3ALDH1A1
SCHEMBL31205187 0.75 DRD2 (0.48) SMN1; SMN2DRD2DRD4DRD3ALDH1A1
SCHEMBL31280138 0.75 SMN1; SMN2 (0.46) SMN1; SMN2DRD2DRD4DRD3ALDH1A1
SCHEMBL25780650 0.75 SMN1; SMN2 (0.46) SMN1; SMN2DRD2DRD4DRD3ALDH1A1

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 — — WO disclosed
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