SCHEMBL31519783

SCHEMBL31519783

O=C(O)c1ccc(C(=O)O)c(CCO)c1CCO.O=C(O)c1ccc(C(=O)OCC(O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
ALDH1A1 P00352 1/20 0.46
SLC1A5 Q15758 1/20 0.37
ADRB2 P07550 11/20 0.36
ADRB1 P08588 11/20 0.36
ADRB3 P13945 11/20 0.36
PRKCA P17252 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
GAA P10253 1/20 0.36
ACE2 Q9BYF1 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL351318 0.83 MAPT (0.64) MAPTALDH1A1SLC1A5ADRB2ADRB1
SCHEMBL29162948 0.82 MAPT (0.62) MAPTALDH1A1SLC1A5ADRB2ADRB1
SCHEMBL31338561 0.81 TDP1 (0.43) MAPTALDH1A1CYP4F2CYP4A11MEN1
Benzoic Acid SCHEMBL10978494 0.79 ALDH1A1 (0.68) MAPTALDH1A1SLC1A5ADRB2ADRB1
Phosphonic Acid SCHEMBL11767971 0.77 MAPT (0.57) MAPTALDH1A1SLC1A5ADRB2ADRB1
SCHEMBL351317 0.76 ALDH1A1 (0.61) MAPTALDH1A1SLC1A5ADRB2ADRB1
SCHEMBL28485282 0.75 ALDH1A1 (0.59) MAPTALDH1A1SLC1A5ADRB2ADRB1
SCHEMBL29664884 0.74 CYP1A2 (0.48) MAPTALDH1A1GAA
SCHEMBL125463 0.74 CYP1A2 (0.48) MAPTALDH1A1GAA
SCHEMBL31038376 0.74 SERPINE1 (0.38) ALDH1A1CYP4F2CYP4A11GAAMEN1

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-119894655-A Method for manufacturing preform and preform 东洋制罐株式会社 2025-04-25 CN disclosed