SCHEMBL28844208

SCHEMBL28844208

[CH2]C(CC1CO1)OC(=O)C=C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
TSHR P16473 5/20 0.32
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL27998176 0.84 ALDH1A1 (0.33) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL3675161 0.81 TSHR (0.39) ALDH1A1TSHR
SCHEMBL878364 0.81 TSHR (0.33) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL4246013 0.78 TSHR (0.33) ALDH1A1TSHR
SCHEMBL9546032 0.76 TSHR (0.35) ALDH1A1TSHR
SCHEMBL28287889 0.74 ALDH1A1 (0.54) ALDH1A1TSHRTP53CYP3A4
SCHEMBL2785282 0.73 TSHR (0.42) ALDH1A1TSHR
SCHEMBL1144470 0.72 ALDH1A1 (0.41) ALDH1A1TSHRTP53CYP3A4
SCHEMBL9746088 0.72 LMNA (0.31) TP53
SCHEMBL10419319 0.72 ALDH1A1 (0.42) ALDH1A1TSHRTP53HIF1ACYP3A4

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
CN-106632827-A Preparation method of water-soluble amphiphilic polymer with functions of initiating and surface activity 西北工业大学 2017-05-10 CN disclosed