SCHEMBL4776185

SCHEMBL4776185

C=CC(=O)OC(C)CCS(=O)(=O)CCC(C)OC(=O)C=C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.41
ALDH1A1 P00352 4/20 0.32
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
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
SCHEMBL3391695 0.87 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28190569 0.86 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9313881 0.86 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29287864 0.84 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9453811 0.84 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL672062 0.84 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3387740 0.81 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4779373 0.79 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
Methacrylic Acid SCHEMBL9300214 0.79 TSHR (0.34) TSHR
SCHEMBL28160434 0.79 TSHR (0.39) 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
EP-1908788-A1 Novel biomimetic hydrogel materials The Regents of the University of California (US) 2008-04-09 EP claimed