SCHEMBL9570529

SCHEMBL9570529

C=CCC(CO)(CC=C)COC(=O)COCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 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
SCHEMBL9570531 0.85 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL9570535 0.85 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL16248474 0.79 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL30874295 0.75 ALDH1A1 (0.48) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL11829533 0.72 TDP1 (0.56) ALDH1A1CYP3A4SMN1; SMN2TDP1
SCHEMBL1104289 0.71 VCAM1 (0.34)
SCHEMBL13855764 0.68 ALDH1A1 (0.75) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL14879719 0.67 TSHR (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL29401193 0.67 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL17672288 0.67 TSHR (0.39) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5299298-A None JP disclosed
JP-H05299298-A ELECTROLYTE OF ELECTROLYTIC CAPACITOR NIPPON CHEMICON CORP 1993-11-12 JP disclosed