SCHEMBL17443294

SCHEMBL17443294

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.70
PPARD Q03181 6/20 0.70
PPARA Q07869 6/20 0.70
ALDH1A1 P00352 5/20 0.70
F7 P08709 5/20 0.70
F3 P13726 5/20 0.70
FABP4 P15090 4/20 0.70
HSD17B10 Q99714 4/20 0.70
FFAR1 O14842 3/20 0.70
PTGS1 P23219 3/20 0.70
LMNA P02545 3/20 0.70
CYP19A1 P11511 3/20 0.70
ALOX15 P16050 3/20 0.70
NR4A2 P43354 3/20 0.70
KDM4E B2RXH2 2/20 0.70
CYP3A4 P08684 2/20 0.70
HPGD P15428 2/20 0.70
AKR1C3 P42330 2/20 0.70
TDP1 Q9NUW8 2/20 0.70
DUSP3 P51452 2/20 0.70

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
SCHEMBL17443435 1.00 PPARG (0.70) PPARGPPARDPPARAALDH1A1F7
SCHEMBL17443291 1.00 PPARG (0.70) PPARGPPARDPPARAALDH1A1F7
SCHEMBL17443275 1.00 PPARG (0.70) PPARGPPARDPPARAALDH1A1F7
Behenic Acid SCHEMBL2163391 0.96 PPARG (0.68) PPARGPPARDPPARAALDH1A1F7
SCHEMBL2424414 0.96 PPARG (0.68) PPARGPPARDPPARAALDH1A1F7
SCHEMBL17443265 0.96 PPARG (0.68) PPARGPPARDPPARAALDH1A1F7
SCHEMBL1343312 0.96 PPARG (0.68) PPARGPPARDPPARAALDH1A1F7
SCHEMBL20608643 0.93 ALDH1A1 (0.57) PPARGPPARDPPARAALDH1A1F7
SCHEMBL7533073 0.93 FFAR1 (0.62) PPARGPPARDPPARAALDH1A1F7
Oleic Acid SCHEMBL28373882 0.90 PPARG (0.64) PPARGPPARDPPARAALDH1A1F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016008437-A1 GLYCERYL 1-PALMITATE-2-LINOLEATE-3-OLEATE COMPOUND, FORMULATION, AND PREPARATION METHOD AND APPLICATION THEREOF 浙江康莱特集团有限公司 2016-01-21 WO disclosed
WO-2016008442-A1 COIX SEED OIL COMPRISING 11 TRIGLYCERIDES, FORMULATION AND APPLICATION THEREOF 浙江康莱特集团有限公司 2016-01-21 WO disclosed
WO-2016008443-A1 COIX SEED OIL COMPRISING 16 GLYCERIDES, FORMULATION AND APPLICATION THEREOF 浙江康莱特集团有限公司 2016-01-21 WO disclosed
WO-2016008441-A1 PHARMACEUTICAL COMPOUND COMPRISING 13 GLYCERIDES, FORMULATION AND APPLICATION THEREOF 浙江康莱特集团有限公司 2016-01-21 WO disclosed
WO-2016008438-A1 PHARMACEUTICAL COMPOSITION COMPRISING 8 TRIGLYCERIDES, FORMULATION AND APPLICATION THEREOF 浙江康莱特集团有限公司 2016-01-21 WO disclosed