SCHEMBL21300565

SCHEMBL21300565

CCCC/C=C\C/C=C\CCCCCCCCOc1cc(CCOC(=O)CCN(C)C)cc(OCCCCCCCC/C=C\C/C=C\CCCCC)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 8/20 0.49
▸ THRA P10827 7/20 0.49
▸ MGLL Q99685 1/20 0.48
▸ CNR1 P21554 5/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CNR2 P34972 2/20 0.46
▸ DNM1 Q05193 1/20 0.44
▸ PPARA Q07869 1/20 0.44

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
SCHEMBL16012449 0.99 THRB (0.50) THRBTHRAMGLLCNR1ALDH1A1
SCHEMBL16012450 0.99 THRB (0.50) THRBTHRAMGLLCNR1ALDH1A1
SCHEMBL16012285 0.94 THRB (0.49) THRBTHRAMGLLCNR1ALDH1A1
SCHEMBL16012284 0.94 THRB (0.49) THRBTHRAMGLLCNR1ALDH1A1
SCHEMBL16013040 0.91 THRB (0.50) THRBTHRAMGLLCNR1ALDH1A1
SCHEMBL16013041 0.91 THRB (0.50) THRBTHRAMGLLCNR1ALDH1A1
SCHEMBL17685841 0.89 CNR1 (0.50) THRBTHRAMGLLCNR1ALDH1A1
SCHEMBL16154804 0.88 MGLL (0.49) THRBTHRAMGLLCNR1ALDH1A1
SCHEMBL16154807 0.88 MGLL (0.49) THRBTHRAMGLLCNR1ALDH1A1
SCHEMBL16154805 0.86 MGLL (0.49) THRBTHRAMGLLCNR1ALDH1A1

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
EP-2964608-B1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2019-08-28 — — EP disclosed
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