SCHEMBL17577604

SCHEMBL17577604

CCCCC/C=C\C/C=C\CCCCCCCCOc1ccc(OCCCCCCCC/C=C\C/C=C\CCCCC)c(CC)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.48
CNR2 P34972 2/20 0.48
KDM4E B2RXH2 2/20 0.43
SOAT1 P35610 1/20 0.43
PPARA Q07869 1/20 0.43
PLA2G4B P0C869 1/20 0.42

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
SCHEMBL17558159 0.90 CNR1 (0.47) CNR1CNR2KDM4ESOAT1
SCHEMBL17558160 0.90 CNR1 (0.47) CNR1CNR2KDM4ESOAT1
SCHEMBL17558137 0.85 TUBB1 (0.43) CNR1CNR2PPARAPLA2G4B
SCHEMBL17558136 0.85 TUBB1 (0.43) CNR1CNR2PPARAPLA2G4B
SCHEMBL17558112 0.84 MAOB (0.46) CNR1CNR2PPARAPLA2G4B
SCHEMBL17558110 0.84 MAOB (0.46) CNR1CNR2PPARAPLA2G4B
SCHEMBL17558151 0.84 CNR1 (0.43) CNR1CNR2
SCHEMBL19399340 0.83 MAOB (0.45) CNR1CNR2PPARAPLA2G4B
SCHEMBL17558117 0.83 MGLL (0.54) CNR1CNR2KDM4ESOAT1
SCHEMBL17558100 0.82 TSHR (0.47) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016037053-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2016-03-10 WO disclosed