SCHEMBL17558124

SCHEMBL17558124

CCCCCC=CC/C=C\CCCCCCCC(=O)OCCCCOc1ccc(OCCCCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)c(C=O)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
CNR1 P21554 1/20 0.51
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ACHE P22303 1/20 0.44
EPHX2 P34913 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CNR2 P34972 1/20 0.43
DUSP3 P51452 1/20 0.43

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
SCHEMBL19376406 1.00 MGLL (0.52) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL19399339 0.96 MGLL (0.52) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL17558140 0.92 DGKA (0.49) THRBTSHREPHX2PPARGPPARA
SCHEMBL17558136 0.90 TUBB1 (0.43) CNR1PPARACNR2
SCHEMBL17558137 0.90 TUBB1 (0.43) CNR1PPARACNR2
SCHEMBL17558092 0.88 CNR2 (0.48) CNR1TSHRPPARGPPARACNR2
SCHEMBL17558103 0.88 CNR2 (0.48) CNR1TSHRPPARGPPARACNR2
SCHEMBL17558117 0.86 MGLL (0.54) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL17577545 0.84 DGKA (0.48) THRBTSHREPHX2PPARGPPARA
SCHEMBL17558144 0.83 CNR2 (0.44) THRBTSHRPPARGPPARACNR2

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-3188760-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS Novartis AG (CH) 2017-07-12 EP disclosed
WO-2016037053-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2016-03-10 WO disclosed