SCHEMBL7260853

SCHEMBL7260853

C=CCOC(=O)OCCOCCOCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.44
ALDH1A1 P00352 5/20 0.44
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 1/20 0.40
THRB P10828 2/20 0.38
HPGD P15428 1/20 0.36
CYP3A4 P08684 1/20 0.34
PLA2G2C Q5R387 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
ATM Q13315 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
SCHEMBL21233305 0.96 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL188647 0.90 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL50692 0.90 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9714112 0.90 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10870570 0.90 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10886350 0.90 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1093745 0.90 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL7758024 0.90 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18095147 0.88 TSHR (0.48) TSHRALDH1A1HSD17B10TDP1HPGD
SCHEMBL953066 0.88 TSHR (0.48) TSHRALDH1A1HSD17B10TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787749-B1 NOVEL ALLYL ETHERS, POLYMERS AND POLYMERIC SOLID ELECTROLYTES MITSUI CHEMICALS INC (JP) 2003-04-02 EP disclosed
US-5977277-A Acrylic ester, novel allyl ether, novel allyl carbonate, acrylic ester polymer, allyl ether polymer, allyl carbonate polymer and polymeric solid electrolyte MITSUI PETROCHEMICAL INDUSTRIES, LTD (JP) 1999-11-02 US disclosed
EP-0787749-A1 NOVEL ACRYLATES, NOVEL ALLYL ETHERS, NOVEL ALLYL CARBONATES, ACRYLATE POLYMERS, ALLYL ETHER POLYMERS, ALLYL CARBONATE POLYMERS, AND SOLID POLYELECTROLYTES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-08-06 EP disclosed