SCHEMBL22357185

SCHEMBL22357185

Cn1c(=O)n(CC=O)c(=O)n(CC(=O)OCC2CO2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MGLL Q99685 2/20 0.35
HTT P42858 2/20 0.34
POLB P06746 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL23237686 0.91 ALDH1A1 (0.42) ALDH1A1MGLLHTTPOLBTP53
SCHEMBL8985569 0.83 MGLL (0.45) ALDH1A1MGLLTP53CYP3A4
SCHEMBL22543075 0.81 CYP3A4 (0.46) ALDH1A1MGLLTP53CYP3A4
SCHEMBL24435676 0.80 ALDH1A1 (0.41) ALDH1A1MGLLTP53CYP3A4
SCHEMBL24435675 0.79 ALDH1A1 (0.42) ALDH1A1MGLLTP53CYP3A4
SCHEMBL24435739 0.78 MGLL (0.42) ALDH1A1MGLL
SCHEMBL24435678 0.77 MEN1 (0.44) ALDH1A1MGLLLMNA
SCHEMBL23482910 0.77 ALDH1A1 (0.35) ALDH1A1MGLLHTTPOLBTP53
SCHEMBL24435673 0.77 ALDH1A1 (0.41) ALDH1A1MGLLTP53CYP3A4
SCHEMBL24435674 0.77 ALDH1A1 (0.44) ALDH1A1MGLLTP53CYP3A4

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
WO-2020166580-A1 METHOD FOR PRODUCING POLYMER 日産化学株式会社 2020-08-20 WO disclosed