SCHEMBL25007355

SCHEMBL25007355

C=CC(=O)OCC(C)(C)OCC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 7/20 0.42
THRB P10828 4/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRA P10827 2/20 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
SCHEMBL285659 0.86 ALDH1A1 (0.59) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL20060321 0.85 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
Ammonia Solution, Strong SCHEMBL11107036 0.84 ALDH1A1 (0.57) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL22855993 0.82 TSHR (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1
Hydrochloric Acid SCHEMBL28271407 0.82 ALDH1A1 (0.55) ALDH1A1TP53HIF1ACYP3A4MAPK1
Dimethylamine SCHEMBL6114524 0.80 ALDH1A1 (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL22563728 0.80 ALDH1A1 (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1
Ethylene Glycol SCHEMBL230725 0.80 ALDH1A1 (0.59) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL28517344 0.80 ALDH1A1 (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL18566787 0.80 THRB (0.43) 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
US-20230043948-A1 METHOD AND KIT FOR CELL GROWTH Precision Cancer Technologies Inc . (CA) 2023-02-09 US disclosed