SCHEMBL21178166

SCHEMBL21178166

C=CC(=O)OCC(COCC(COC(C)=O)(COC(C)=O)COC(C)=O)(COC(C)=O)COC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
TP53 P04637 3/20 0.58
HIF1A Q16665 3/20 0.58
CYP3A4 P08684 2/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
THRB P10828 2/20 0.53
TSHR P16473 8/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.32

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
SCHEMBL18910286 1.00 ALDH1A1 (0.58) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL11433470 0.94 ALDH1A1 (0.64) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL13917105 0.94 ALDH1A1 (0.64) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL11682543 0.94 ALDH1A1 (0.64) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL13779722 0.91 THRB (0.66) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL19652444 0.90 ALDH1A1 (0.69) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL20690222 0.90 ALDH1A1 (0.69) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL268293 0.90 ALDH1A1 (0.69) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL13528986 0.87 ALDH1A1 (0.56) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL14506231 0.87 ALDH1A1 (0.45) ALDH1A1TP53HIF1ACYP3A4MAPK1

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-2019142736-A1 COMPOUND, INK, RESIST COMPOSITION FOR COLOR FILTER, THERMAL TRANSFER RECORDING SHEET, AND TONER キヤノン株式会社 2019-07-25 WO disclosed