SCHEMBL11206608

SCHEMBL11206608

CC(C)(CO)CO.CC(OP(O)O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.36
RIPK1 Q13546 2/20 0.36
HCAR2 Q8TDS4 1/20 0.35
SLC6A3 Q01959 2/20 0.34
SLC6A4 P31645 2/20 0.34
CACNA1F O60840 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA2B P18089 1/20 0.34
CHRM3 P20309 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
OPRK1 P41145 1/20 0.34
CACNA1D Q01668 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
FFAR1 O14842 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL6030122 0.86 HCAR2 (0.43) HCAR2CHRM2ADRA2BADRA1AFFAR1
SCHEMBL6029816 0.86 HCAR2 (0.43) HCAR2CHRM2ADRA2BADRA1AFFAR1
SCHEMBL6030593 0.86 HCAR2 (0.43) HCAR2CHRM2ADRA2BADRA1AFFAR1
SCHEMBL1548348 0.75 RIPK1 (0.36) TRPA1RIPK1SLC6A3SLC6A4NPSR1
SCHEMBL30782955 0.74 HCAR2 (0.43) HCAR2CHRM2ADRA2BADRA1AFFAR1
SCHEMBL18978766 0.74 HCAR2 (0.43) HCAR2CHRM2ADRA2BADRA1AFFAR1
SCHEMBL27678679 0.72
SCHEMBL6069163 0.72 ALDH1A1 (0.36) RIPK1NPSR1ALDH1A1
SCHEMBL11676343 0.72 ALDH1A1 (0.36) RIPK1NPSR1ALDH1A1
Ethylene Glycol SCHEMBL14342929 0.71 SLC6A2 (0.37) TRPA1RIPK1SLC6A3SLC6A4KDM4E

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
EP-0019349-B1 STABILIZING COMPOSITION FOR POLYARYLENE ESTERS, STABILIZED POLYARYLENE ESTER, MOULDED ARTICLE PRODUCED THEREFROM AND PROCESS FOR STABILIZING A POLYARYLENE ESTER MONSANTO COMPANY (US) 1983-08-03 EP disclosed
US-4222932-A MOLDING MATERIALS STABILIZED BY ADDING AN AROMATIC ISOCYANATE AND AN ALIPHATIC PHOSPHITE MONSANTO COMPANY (US) 1980-09-16 US disclosed