SCHEMBL8931477

SCHEMBL8931477

COC(=O)CCCCCCCCO[C@@H]1O[C@@H]2COC(c3ccccc3)O[C@H]2[C@H](O[C@@H]2O[C@@H](C)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@H]1NC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.60
▸ SELP P16109 1/20 0.42
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.33
▸ PKM P14618 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TACR1 P25103 1/20 0.32
▸ MCHR1 Q99705 2/20 0.32
▸ SELE P16581 1/20 0.32
▸ SSTR2 P30874 3/20 0.31
▸ SSTR3 P32745 3/20 0.31
▸ SSTR5 P35346 3/20 0.31
▸ SSTR1 P30872 1/20 0.31
▸ SSTR4 P31391 1/20 0.31
▸ MAG P20916 1/20 0.31

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
SCHEMBL8931484 1.00 L3MBTL1 (0.60) L3MBTL1SELPKMT2AMEN1ALDH1A1
SCHEMBL8931463 0.90 L3MBTL1 (0.73) L3MBTL1SELPKMT2AMEN1ALDH1A1
SCHEMBL11229563 0.89 L3MBTL1 (0.46) L3MBTL1SELPKMT2AMEN1ALDH1A1
SCHEMBL8861342 0.89 L3MBTL1 (0.46) L3MBTL1SELPKMT2AMEN1ALDH1A1
SCHEMBL7572282 0.89 L3MBTL1 (0.46) L3MBTL1SELPKMT2AMEN1ALDH1A1
SCHEMBL9211388 0.89 L3MBTL1 (0.66) L3MBTL1SELPKMT2AMEN1ALDH1A1
SCHEMBL9084440 0.88 L3MBTL1 (0.49) L3MBTL1SELPTACR1SELESSTR2
SCHEMBL9218752 0.87 L3MBTL1 (0.63) L3MBTL1SELPKMT2AMEN1ALDH1A1
SCHEMBL11505517 0.87 L3MBTL1 (0.45) L3MBTL1SELPKMT2AMEN1ALDH1A1
SCHEMBL26125378 0.86 L3MBTL1 (0.65) L3MBTL1SELPKMT2AMEN1ALDH1A1

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-5654412-A CONVERGENT SYNTHESIS VIA TWO DISACCHARIDE SUBCOMPONENTS; SIMPLIFICATION, HIGH YIELD GLYCOMED INCORPORATED (US) 1997-08-05 — — US disclosed
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