SCHEMBL8581377

SCHEMBL8581377

CCCCCCCCCCCC(OC(=O)OCc1ccccc1)C(F)(F)C(=O)NC1[C@H](O)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ DAGLA Q9Y4D2 1/20 0.30
▸ MBOAT4 Q96T53 1/20 0.30
▸ SIRT2 Q8IXJ6 1/20 0.30
▸ SIRT1 Q96EB6 1/20 0.30

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
SCHEMBL9019034 0.89 L3MBTL1 (0.32) MBOAT4
SCHEMBL8579544 0.79 TLR4 (0.35) KMT2ADAGLA
SCHEMBL9019040 0.78 TLR4 (0.35) —
SCHEMBL16146137 0.77 ALDH1A1 (0.42) KMT2AALDH1A1
SCHEMBL8579743 0.75 L3MBTL1 (0.33) KMT2AMEN1ALDH1A1HPGDMBOAT4
SCHEMBL8576904 0.75 L3MBTL1 (0.33) KMT2AMEN1ALDH1A1HPGDMBOAT4
SCHEMBL8581713 0.75 MEN1 (0.34) KMT2AMEN1ALDH1A1HPGDDAGLA
SCHEMBL10417606 0.73 L3MBTL1 (0.41) KMT2AMEN1ALDH1A1HPGD
SCHEMBL10747306 0.73 TLR4 (0.33) DAGLA
SCHEMBL6807462 0.72 L3MBTL1 (0.40) —

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-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 — — US disclosed
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