SCHEMBL1934663

SCHEMBL1934663

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC1OC1CO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 4/20 0.64
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
F7 P08709 3/20 0.51
F3 P13726 3/20 0.51
PPARG P37231 2/20 0.51
PPARD Q03181 2/20 0.51
PPARA Q07869 2/20 0.51
DUSP3 P51452 1/20 0.51
PTPN7 P35236 1/20 0.51
FFAR1 O14842 1/20 0.51
LMNA P02545 1/20 0.51
FABP3 P05413 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP19A1 P11511 1/20 0.51
FABP4 P15090 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
PTGS1 P23219 1/20 0.51

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
SCHEMBL25366931 0.96 TLR4 (0.62) TLR4DUSP3LMNAFABP4ALOX15
SCHEMBL1934305 0.92 ALDH1A1 (0.57) TLR4ALDH1A1KDM4EF7F3
SCHEMBL11148184 0.90 TLR4 (0.56) TLR4ALDH1A1KDM4EF7F3
SCHEMBL1758430 0.89 TLR4 (0.59) TLR4DUSP3PTPN7MGLL
SCHEMBL5436079 0.89 TLR4 (0.59) TLR4DUSP3PTPN7MGLL
SCHEMBL2201431 0.89 TLR4 (0.59) TLR4DUSP3PTPN7MGLL
SCHEMBL2196896 0.89 TLR4 (0.59) TLR4DUSP3PTPN7MGLL
SCHEMBL2196892 0.89 TLR4 (0.59) TLR4DUSP3PTPN7MGLL
SCHEMBL2196886 0.89 TLR4 (0.59) TLR4DUSP3PTPN7MGLL
SCHEMBL1933335 0.88 TLR4 (0.57) TLR4

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-20140148608-A1 GLYCIDYL ESTER REDUCTION IN OIL ARCHER DANIELS MIDLAND COMPANY (US) 2014-05-29 US disclosed
US-20140142330-A1 GLYCIDYL ESTER REDUCTION IN OIL ARCHER DANIELS MIDLAND COMPANY (US) 2014-05-22 US disclosed
US-20140135514-A1 GLYCIDYL ESTER REDUCTION IN OIL ARCHER DANIELS MIDLAND COMPANY (US) 2014-05-15 US disclosed
EP-2506720-A1 GLYCIDYL ESTER REDUCTION IN OIL Archer Daniels Midland Company (US) 2012-10-10 EP disclosed
US-20120238770-A1 GLYCIDYL ESTER REDUCTION IN OIL ARCHER DANIELS MIDLAND COMPANY (US) 2012-09-20 US disclosed
WO-2011069028-A1 GLYCIDYL ESTER REDUCTION IN OIL ARCHER DANIELS MIDLAND COMPANY (US) 2011-06-09 WO disclosed