SCHEMBL8579743

SCHEMBL8579743

C=CCO[C@@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](O)[C@H]1NC(=O)[C@@H](F)[C@@H](CCCCCCCCCCC)OC(=O)OCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ MBOAT4 Q96T53 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
SCHEMBL8576904 1.00 L3MBTL1 (0.33) L3MBTL1MEN1ALDH1A1HPGDKMT2A
SCHEMBL9019034 0.87 L3MBTL1 (0.32) L3MBTL1BCHEACHEMBOAT4
SCHEMBL8579354 0.85 TLR2 (0.32) —
SCHEMBL8581713 0.84 MEN1 (0.34) L3MBTL1MEN1ALDH1A1HPGDKMT2A
SCHEMBL8579402 0.82 BCHE (0.34) L3MBTL1BCHEACHE
SCHEMBL8577163 0.82 BCHE (0.34) L3MBTL1BCHEACHE
SCHEMBL9019205 0.82 BCHE (0.34) L3MBTL1BCHEACHE
SCHEMBL10417606 0.80 L3MBTL1 (0.41) L3MBTL1MEN1ALDH1A1HPGDKMT2A
SCHEMBL8581372 0.78 TLR4 (0.34) —
SCHEMBL8578168 0.78 TLR4 (0.34) —

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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