SCHEMBL4394133

SCHEMBL4394133

C=CC(=O)OC[C@H](O)[C@H]1OC(O)=C(O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.40
MAPT P10636 2/20 0.36
HSPD1 P10809 1/20 0.36
HSPE1 P61604 1/20 0.36
TST Q16762 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4389934 0.80 MAPT (0.56) TSHRMAPTHSPD1HSPE1TST
SCHEMBL4389940 0.80 MAPT (0.56) TSHRMAPTHSPD1HSPE1TST
SCHEMBL3700963 0.71 LMNA (0.56) MAPTHSPD1HSPE1TSTRECQL
SCHEMBL693229 0.64
SCHEMBL8965695 0.64 TSHR (0.64) TSHRMAPTRECQLALDH1A1TP53
SCHEMBL95157 0.64 TSHR (0.64) TSHRMAPTRECQLALDH1A1TP53
SCHEMBL29755672 0.63 TSHR (0.61) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL212283 0.63
SCHEMBL27821519 0.63
SCHEMBL33585 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015278-A1 Metal-Containing Compositions and Method of Making Same PRYOG, LLC 2008-01-17 US claimed
WO-2007070092-A2 METAL-CONTAINING COMPOSITIONS AND METHOD OF MAKING SAME PRYOG, LLC (US) 2007-06-21 WO claimed
US-7629424-B2 Metal-containing compositions and method of making same PRYOG, LLC (US) 2009-12-08 US disclosed
US-20080015278-A1 Metal-Containing Compositions and Method of Making Same PRYOG, LLC 2008-01-17 US disclosed