SCHEMBL28618910

SCHEMBL28618910

C=CC(=O)OC(O)CO.N=C=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.36
ALDH1A1 P00352 4/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL4197867 0.90
Succinic Acid SCHEMBL28408595 0.81 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29568776 0.77 TSHR (0.40) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL876395 0.76 TSHR (0.32) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11426695 0.76 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL18686325 0.76 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20957533 0.75 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8965849 0.74 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2119381 0.74 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5174720 0.73 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4

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-110256959-B UV curable silicone release agent 郝建强 2021-07-23 CN disclosed