SCHEMBL8750994

SCHEMBL8750994

O=C(OCC1CO1)C(O)C(O)C(=O)OCC1CO1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
MGLL Q99685 3/20 0.40
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL5247142 0.83 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL22551087 0.82 PDE4A (0.44) ALDH1A1TP53CYP3A4MGLL
SCHEMBL28369176 0.82 PDE4A (0.44) ALDH1A1TP53CYP3A4MGLL
SCHEMBL30425941 0.81 ALDH1A1 (0.47) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL23466921 0.81 ALDH1A1 (0.47) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL16687820 0.80 ALDH1A1 (0.55) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL11429565 0.80 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL92977 0.80 ALDH1A1 (0.55) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL543862 0.78 ALDH1A1 (0.69) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL377540 0.78 ALDH1A1 (0.57) ALDH1A1TP53CYP3A4MGLLTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765929-A1 Additive for lubricating oils for diesel engines and lubricating oil compositions containing the same KAO CORPORATION (JP) 1997-04-02 EP claimed
US-5670464-A AMINOALCOHOL KAO CORPORATION (JP) 1997-09-23 US disclosed
EP-0765929-A1 Additive for lubricating oils for diesel engines and lubricating oil compositions containing the same KAO CORPORATION (JP) 1997-04-02 EP disclosed