SCHEMBL29064068

SCHEMBL29064068

CC(C)(O)C(=O)C(=O)c1ccc(OCCO)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.53
▸ NR1I2 O75469 1/20 0.51
▸ CYP3A4 P08684 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ PPARA Q07869 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ RARB P10826 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ RAB9A P51151 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
SCHEMBL36443 0.83 GAA (0.56) GAANR1I2CYP3A4SMN1; SMN2L3MBTL1
SCHEMBL17324196 0.82 GAA (0.67) GAANR1I2L3MBTL1MAPTALDH1A1
SCHEMBL28651564 0.82 GAA (0.54) GAANR1I2CYP3A4SMN1; SMN2L3MBTL1
Lithium SCHEMBL30864217 0.82 GAA (0.54) GAANR1I2CYP3A4SMN1; SMN2L3MBTL1
Bicarbonate SCHEMBL4884155 0.81 GAA (0.57) GAANR1I2CYP3A4SMN1; SMN2L3MBTL1
SCHEMBL28642707 0.81 GAA (0.53) GAANR1I2CYP3A4SMN1; SMN2L3MBTL1
Alcohol SCHEMBL28846453 0.81 NR1I2 (0.56) GAANR1I2CYP3A4SMN1; SMN2L3MBTL1
SCHEMBL27025553 0.80 GAA (0.56) GAANR1I2CYP3A4SMN1; SMN2L3MBTL1
SCHEMBL15633667 0.78 GAA (0.67) GAANR1I2CYP3A4SMN1; SMN2L3MBTL1
Phosphoric Acid SCHEMBL28885773 0.78 GAA (0.50) GAANR1I2CYP3A4SMN1; SMN2L3MBTL1

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-116438214-A Sealing material for organic EL display element, cured product thereof, and organic EL display device 三井化学株式会社 2023-07-14 — — CN disclosed
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