SCHEMBL11455896

SCHEMBL11455896

CCON=C(CC(=O)OCC)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ DRD4 P21917 2/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ TBXAS1 P24557 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MGAM O43451 1/20 0.42
▸ SI P14410 1/20 0.42
▸ MGAM2 Q2M2H8 1/20 0.42
▸ PPID Q08752 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 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
SCHEMBL5148094 0.88 GAA (0.54) GAAMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL22617575 0.83 GAA (0.52) GAAMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6811627 0.79 L3MBTL1 (0.57) GAAMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6811621 0.79 L3MBTL1 (0.57) GAAMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL28048841 0.78 KMT2A (0.57) GAAMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL17433641 0.78 KMT2A (0.57) GAAMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL18598370 0.78 ATM (0.61) GAAKMT2ARAB9ADRD4SMN1; SMN2
SCHEMBL27369627 0.78 ATM (0.61) GAAKMT2ARAB9ADRD4SMN1; SMN2
SCHEMBL24612581 0.77 CTSL (0.55) GAAMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL25434186 0.77 CTSL (0.55) GAAMEN1KMT2ARAB9ASMN1; SMN2

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
US-4216329-A FROM B-DICARBONYL COMPOUNDS BY OXIMINATION PHILIP MORRIS INCORPORATED (US) 1980-08-05 — — US disclosed
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