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Sugi Predict / Compounds / SCHEMBL23656394

SCHEMBL23656394

SCHEMBL23656394

C/C=C/CC/C=C\C/C=C\CCCCCCCCOC(=O)c1cc(COC(=O)CCN(C)C)cc(C(=O)OCCCCCCCC/C=C\C/C=C\CCCCC)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.42
▸ THRB P10828 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ ESR1 P03372 4/20 0.41
▸ AKR1C4 P17516 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41
▸ THRA P10827 1/20 0.39

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
SCHEMBL22503893 0.96 MGLL (0.45) MGLLTHRBALDH1A1MAPTCNR1
SCHEMBL16013505 0.96 MGLL (0.45) MGLLTHRBALDH1A1MAPTCNR1
SCHEMBL16013504 0.96 MGLL (0.45) MGLLTHRBALDH1A1MAPTCNR1
SCHEMBL28572327 0.93 MGLL (0.42) MGLLTHRBALDH1A1MAPTCNR1
SCHEMBL16154813 0.83 MGLL (0.51) MGLLTHRBALDH1A1MAPTCNR1
SCHEMBL25278732 0.82 ESR1 (0.52) MGLLALDH1A1MAPTESR1AKR1C4
SCHEMBL25231397 0.82 ESR1 (0.52) ALDH1A1MAPTCNR1ESR1AKR1C4
SCHEMBL25283017 0.82 ESR1 (0.54) ALDH1A1MAPTESR1AKR1C4AKR1C3
SCHEMBL16013040 0.82 THRB (0.50) MGLLTHRBALDH1A1MAPTCNR1
SCHEMBL16013041 0.82 THRB (0.50) MGLLTHRBALDH1A1MAPTCNR1

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-3608308-B1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2021-07-21 — — EP disclosed
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