SCHEMBL7932308

SCHEMBL7932308

C=CC(=O)OCCC(=C)C(=O)OCC1CO1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TSHR P16473 5/20 0.40
TP53 P04637 3/20 0.40
HIF1A Q16665 2/20 0.40
CYP3A4 P08684 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.37
MGLL Q99685 1/20 0.34
THRB P10828 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
SCHEMBL8893803 0.83 ALDH1A1 (0.44) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL9275729 0.82 ALDH1A1 (0.73) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL15082542 0.81
SCHEMBL29850839 0.81 ALDH1A1 (0.53) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL17692 0.81
SCHEMBL3385358 0.80 ALDH1A1 (0.56) ALDH1A1TP53CYP3A4MGLL
SCHEMBL16442918 0.79 ALDH1A1 (0.68) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL21196521 0.79 ALDH1A1 (0.68) ALDH1A1TSHRTP53HIF1ACYP3A4
Ethylene SCHEMBL17781981 0.79 ALDH1A1 (0.68) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL17781982 0.79 ALDH1A1 (0.68) 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
US-20010016628-A1 Modified with less than 5% by weight of monofunctional, difunctional and polyfunctional monomers; improved melt processability; sheets, films, panels, coatings, pipes, hollow objects and foams BOREALIS GMBH (AU) 2001-08-23 US disclosed