SCHEMBL21776175

SCHEMBL21776175

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

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
TP53 P04637 3/20 0.71
HIF1A Q16665 3/20 0.71
CYP3A4 P08684 2/20 0.71
MAPK1 P28482 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
THRB P10828 1/20 0.47
TSHR P16473 7/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 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
SCHEMBL22108772 1.00 ALDH1A1 (0.71) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL14475296 0.93 ALDH1A1 (0.58) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL21776081 0.93 ALDH1A1 (0.58) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL21319643 0.93 ALDH1A1 (0.81) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL684275 0.92 ALDH1A1 (0.85) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL4886316 0.90 ALDH1A1 (0.81) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL12277843 0.90 ALDH1A1 (0.88) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL21550099 0.88 ALDH1A1 (0.78) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL20854326 0.88 ALDH1A1 (0.85) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL12277453 0.88 ALDH1A1 (0.85) 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-2020040506-A1 ORGANIC-INORGANIC HYBRID COATING LAYER AND MANUFACTURING METHOD THEREFOR 고려대학교 세종산학협력단 2020-02-27 WO disclosed