SCHEMBL2929078

SCHEMBL2929078

C=CC(=O)OCCOC(=O)N(Cl)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.52
ALDH1A1 P00352 5/20 0.52
TP53 P04637 3/20 0.52
HIF1A Q16665 3/20 0.52
HSD17B10 Q99714 1/20 0.52
HPGD P15428 1/20 0.47
CYP3A4 P08684 2/20 0.47
THRB P10828 3/20 0.44
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.33
HCAR2 Q8TDS4 2/20 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
SCHEMBL2928881 0.93 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL7457879 0.77 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2921354 0.76 THRB (0.52) TSHRALDH1A1THRB
Acetic Acid SCHEMBL3361156 0.76 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL93462 0.76 TSHR (0.84) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30604742 0.76 TSHR (0.84) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14999218 0.75 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
Methacrylic Acid SCHEMBL1664193 0.75 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
Trimethylammonium SCHEMBL29117101 0.74 TSHR (0.67) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL553608 0.74 TSHR (0.67) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023286767-A1 THERMOCONDUCTIVE MATERIAL COMPOSITION 株式会社大阪ソーダ 2023-01-19 WO disclosed
EP-1550694-B1 ACRYLIC RUBBER COMPOSITION AND CROSSLINKED OBJECT ZEON CORP (JP) 2010-09-08 EP disclosed
US-7459495-B2 Acrylic rubber composition and crosslinked object ZEON CORPORATION (JP) 2008-12-02 US disclosed
US-20060167159-A1 Acrylic rubber composition and crosslinked object ZEON CORPORATION (JP) 2006-07-27 US disclosed
EP-1550694-A1 ACRYLIC RUBBER COMPOSITION AND CROSSLINKED OBJECT Zeon Corporation (JP) 2005-07-06 EP disclosed