SCHEMBL11529622

SCHEMBL11529622

CC1(C(=O)OCC2CO2)CC=CCC1(C)C(=O)OCC1CO1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MGLL Q99685 3/20 0.37
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL8138079 0.81 ALDH1A1 (0.47) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL15095468 0.79 ALDH1A1 (0.49) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL7077319 0.77 TP53 (0.42) ALDH1A1TP53CYP3A4MGLL
SCHEMBL3387382 0.76 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL11153788 0.75 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL9770281 0.72 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL27893536 0.72 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4MGLL
SCHEMBL2442266 0.72 ALDH1A1 (0.48) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL15259586 0.72 ALDH1A1 (0.48) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL15259657 0.69 TP53 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4140606-A Process for preparing a polymerizable (meth) acrylate oligomer SHOWA DENKO K.K. (JP) 1979-02-20 US disclosed