SCHEMBL8848622

SCHEMBL8848622

CCCOC(=O)OC(=O)OCC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.75
ALDH1A1 P00352 8/20 0.57
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX15 P16050 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
TRPA1 O75762 1/20 0.37
NAAA Q02083 1/20 0.37
TSHR P16473 2/20 0.36
ESR1 P03372 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDR P35968 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.36
CA12 O43570 1/20 0.34

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
SCHEMBL2497149 0.92 SOAT1 (0.60) SOAT1ALDH1A1LMNAHSD17B10HCAR2
SCHEMBL7057738 0.90 ALDH1A1 (0.72) SOAT1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL137153 0.90
SCHEMBL26267545 0.87 ALDH1A1 (0.68) SOAT1ALDH1A1LMNAHSD17B10ALOX15
Fluoride SCHEMBL29068335 0.87 ALDH1A1 (0.68) SOAT1ALDH1A1LMNAHSD17B10ALOX15
Diethyl Pyrocarbonate SCHEMBL30366210 0.87 SOAT1 (1.00) SOAT1ALDH1A1LMNAHSD17B10ALOX15
Diethyl Pyrocarbonate SCHEMBL15582 0.87 SOAT1 (1.00) SOAT1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL14269172 0.86 SOAT1 (0.68) SOAT1ALDH1A1LMNAHCAR2NAAA
SCHEMBL11770607 0.85 ALDH1A1 (0.57) SOAT1ALDH1A1LMNAHSD17B10ALOX15
Bicarbonate SCHEMBL28320275 0.85 ALDH1A1 (0.65) SOAT1ALDH1A1LMNAHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667851-B1 METHOD FOR PREPARING DI(ORGANO) ESTERS OF PYROCARBONIC ACID PPG INDUSTRIES INC (US) 1997-09-17 EP disclosed
EP-0667851-A1 METHOD FOR PREPARING DI(ORGANO) ESTERS OF PYROCARBONIC ACID. PPG INDUSTRIES INC (US) 1995-08-23 EP disclosed
EP-0667851-A4 METHOD FOR PREPARING DI(ORGANO) ESTERS OF PYROCARBONIC ACID. PPG INDUSTRIES INC (US) 1995-05-08 EP disclosed
WO-1994006749-A1 METHOD FOR PREPARING DI(ORGANO) ESTERS OF PYROCARBONIC ACID PPG INDUSTRIES, INC. (US) 1994-03-31 WO disclosed
US-5231211-A Polyetheramine catalysts for reaction of organohaloformates PPG INDUSTRIES, INC. (US) 1993-07-27 US disclosed
EP-0064582-B1 STARTING COMPOUNDS FOR PREPARING CEPHEM COMPOUNDS AND PROCESSES FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-12-11 EP disclosed
EP-0013762-B1 CEPHEM AND CEPHAM COMPOUNDS, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-03-13 EP disclosed
US-3985720-A Polymerization of ethylenically unsaturated monomer employing a catalyst system comprising dialkylpyrocarbonate, organic acid anhydride, alkaline reagent and H2 O2 PPG INDUSTRIES, INC. (US) 1976-10-12 US disclosed
US-3984386-A Polymerization of ethylenically unsaturated monomer with dialkyl pyrocarbonate and hydrogen peroxide PPG INDUSTRIES, INC. (US) 1976-10-05 US disclosed