SCHEMBL6432024

SCHEMBL6432024

O=C(OCC1CO1)OC1C2C=CC(C2)C1OC(=O)OCC1CO1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 1/20 0.40
MGLL Q99685 4/20 0.36

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
SCHEMBL6437013 0.78 TP53 (0.46) ALDH1A1TP53CYP3A4MGLL
SCHEMBL424205 0.76 LMNA (0.62) ALDH1A1TP53CYP3A4LMNAMGLL
SCHEMBL424204 0.76 LMNA (0.62) ALDH1A1TP53CYP3A4LMNAMGLL
SCHEMBL377540 0.75 ALDH1A1 (0.57) ALDH1A1TP53CYP3A4MGLL
SCHEMBL5359043 0.75 ALDH1A1 (0.44) ALDH1A1CYP3A4LMNA
SCHEMBL22657946 0.74 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MGLL
SCHEMBL5354303 0.72 AKT1 (0.36) ALDH1A1CYP3A4LMNA
SCHEMBL6933803 0.72 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4MGLL
SCHEMBL16340361 0.72 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4MGLL
SCHEMBL11148779 0.71 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4MGLL

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
EP-1389631-B1 Epoxy resin compositions SHINETSU CHEMICAL CO (JP) 2005-10-19 EP claimed