SCHEMBL28069197

SCHEMBL28069197

C=CC(=O)OC=CCCO

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.45
ALDH1A1 P00352 4/20 0.36
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 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
SCHEMBL7136406 0.79 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29690376 0.78 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1975527 0.78 TSHR (0.50) TSHRALDH1A1TP53CYP3A4HSD17B10
SCHEMBL1975528 0.78 TSHR (0.50) TSHRALDH1A1TP53CYP3A4HSD17B10
SCHEMBL2137702 0.77
SCHEMBL30670325 0.76 HPGD (0.48) TSHRALDH1A1TP53CYP3A4HSD17B10
SCHEMBL15413645 0.76 TSHR (0.37) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL170416 0.76
SCHEMBL1948499 0.76
SCHEMBL3886085 0.76

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115397520-A Oil-in-water type emulsion cosmetic 花王株式会社 2022-11-25 CN disclosed
CN-105659323-A Composite comprising a substrate and a photopolymer film 科思创德国股份有限公司 2016-06-08 CN disclosed