SCHEMBL6879319

SCHEMBL6879319

CC(=O)OCC(C)(C)COC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PRKCA P17252 1/20 0.38
SERPINE1 P05121 1/20 0.36
GAA P10253 3/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BTN3A1 O00481 4/20 0.33
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRNB2 P17787 1/20 0.32
TBXA2R P21731 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 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
SCHEMBL5445288 0.91 PRKCA (0.43) ALDH1A1LMNAHSD17B10PRKCASERPINE1
SCHEMBL14627793 0.88 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10SERPINE1GAA
SCHEMBL24877573 0.80 PRKCA (0.37) PRKCASERPINE1GAAPOLBNPSR1
SCHEMBL6049830 0.79 TSHR (0.42) ALDH1A1PRKCASERPINE1GAAPOLB
SCHEMBL9348634 0.79 PRKCA (0.44) ALDH1A1PRKCASERPINE1GAAPOLB
SCHEMBL13686650 0.79 PRKCA (0.39) ALDH1A1LMNAHSD17B10PRKCASERPINE1
SCHEMBL5692007 0.79 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10SERPINE1GAA
SCHEMBL20825380 0.78 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10SERPINE1GAA
SCHEMBL24177994 0.78 ALDH1A1 (0.32) ALDH1A1LMNAHSD17B10SERPINE1
SCHEMBL17612829 0.77 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10SERPINE1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506243-B1 Industrial solvents; dialkyl carbonates, alkyl acetates, dioxolanes, pivalates, isobutyrates, nitriles EXXONMOBIL CHEMICAL PATENTS INC. 2003-01-14 US claimed
WO-2002064687-A1 ENVIRONMENTALLY PREFERRED FLUIDS AND FLUID BLENDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-08-22 WO claimed
EP-1090085-A1 ENVIRONMENTALLY PREFERRED FLUIDS AND FLUID BLENDS EXXON CHEMICAL PATENTS INC. (US) 2001-04-11 EP claimed
WO-1999057217-A1 ENVIRONMENTALLY PREFERRED FLUIDS AND FLUID BLENDS EXXON CHEMICAL PATENTS INC. (US) 1999-11-11 WO claimed
US-6818049-B1 HALOGEN FREE INDUSTRIAL SOLVENT FORMULATION; LOW REACTIVITY TO OZONE FORMATION EXXONMOBIL CHEMICAL PATENTS INC. 2004-11-16 US disclosed
WO-2002064687-A1 ENVIRONMENTALLY PREFERRED FLUIDS AND FLUID BLENDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-08-22 WO disclosed