SCHEMBL11237291

SCHEMBL11237291

CC(C)(CO)COC(=O)c1ccc(C(=O)O)cc1.O=C(O)CCCCCCCCC(=O)OCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.39
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
PLA2G4B P0C869 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
PPARA Q07869 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
SERPINE1 P05121 1/20 0.34
RARB P10826 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MGLL Q99685 1/20 0.33
NPC1 O15118 1/20 0.33
CYP2D6 P10635 2/20 0.33
SLC6A3 Q01959 2/20 0.33
MEN1 O00255 1/20 0.33
SLC22A2 O15244 1/20 0.33

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
SCHEMBL5083435 0.88 TDP1 (0.40) HTTTSHRMAPTTDP1PPARA
SCHEMBL11042836 0.87 LTB4R (0.40) HTTTP53TSHRPLA2G4BTDP1
SCHEMBL11048926 0.87 LTB4R (0.40) HTTTP53TSHRPLA2G4BTDP1
SCHEMBL18813866 0.82 SERPINE1 (0.40) HTTMAPTTDP1POLBMAPK1
Ethylene Glycol SCHEMBL11412767 0.81 MAPT (0.46) TP53TSHRMAPTTDP1MAPK1
SCHEMBL3453488 0.81 MAPT (0.49) TP53TSHRMAPTTDP1MAPK1
SCHEMBL28268466 0.80 TDP1 (0.46) HTTTP53TSHRMAPTTDP1
Terephthalic Acid SCHEMBL29140933 0.80 HTT (0.51) HTTTP53TSHRPLA2G4BTDP1
SCHEMBL2219999 0.79 HTT (0.49) HTTTP53TSHRPLA2G4BMAPT
SCHEMBL1553164 0.79 TDP1 (0.53) HTTTP53TSHRPLA2G4BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4318837-A BLEND OF SATURATED POLYESTER, UNDATURATED POLYESTER AND POLYISOCYANATE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1982-03-09 US disclosed
US-4204987-A Aqueous polyester dispersion for adhering vinyl film to wood THE GOODYEAR TIRE & RUBBER COMPANY (US) 1980-05-27 US disclosed