SCHEMBL11094876

SCHEMBL11094876

COC(=O)CCCCC(=O)NCCO[C@H]1O[C@@H]2COC(c3ccccc3)O[C@@H]2[C@H](OCc2ccccc2)[C@H]1NC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.66
▸ SELP P16109 1/20 0.44
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ MCHR1 Q99705 2/20 0.36
▸ SSTR2 P30874 2/20 0.35
▸ SSTR3 P32745 2/20 0.35
▸ SSTR5 P35346 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ PKM P14618 1/20 0.35
▸ LMNA P02545 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL11094885 0.89 L3MBTL1 (0.51) L3MBTL1SELPKMT2AMEN1ALDH1A1
SCHEMBL26125378 0.86 L3MBTL1 (0.65) L3MBTL1SELPKMT2AMEN1MCHR1
SCHEMBL5841072 0.85 L3MBTL1 (0.89) L3MBTL1SELPKMT2AMEN1ALDH1A1
SCHEMBL5841335 0.85 L3MBTL1 (0.89) L3MBTL1SELPKMT2AMEN1ALDH1A1
SCHEMBL8931477 0.84 L3MBTL1 (0.60) L3MBTL1SELPKMT2AMEN1MCHR1
SCHEMBL8931484 0.84 L3MBTL1 (0.60) L3MBTL1SELPKMT2AMEN1MCHR1
SCHEMBL8720751 0.83 L3MBTL1 (0.85) L3MBTL1SELPKMT2AMEN1ALDH1A1
SCHEMBL11469354 0.83 L3MBTL1 (0.85) L3MBTL1SELPKMT2AMEN1ALDH1A1
SCHEMBL11642846 0.80 L3MBTL1 (1.00) L3MBTL1SELPKMT2AMEN1ALDH1A1
SCHEMBL7565698 0.80 L3MBTL1 (0.54) L3MBTL1SELPKMT2AMEN1SSTR2

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
US-4442284-A Chemical compounds, aminoacid attached to glycoside BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1984-04-10 — — US disclosed
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