SCHEMBL21332347

SCHEMBL21332347

COC(=O)C[C@H]1O[C@@H](OCCOCCOCCOCC=O)[C@H](NC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ MAPK1 P28482 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ LGALS3 P17931 3/20 0.33
▸ LGALS8 O00214 1/20 0.33
▸ LGALS4 P56470 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TLR4 O00206 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
SCHEMBL21332149 0.89 CYP3A4 (0.46) CYP3A4MAPTCYP2C9CYP2C19LMNA
SCHEMBL23243960 0.88 CYP3A4 (0.58) CYP3A4MAPTCYP2C9CYP2C19LMNA
SCHEMBL23243932 0.88 CYP3A4 (0.58) CYP3A4MAPTCYP2C9CYP2C19LMNA
SCHEMBL23069413 0.88 CYP3A4 (0.58) CYP3A4MAPTCYP2C9CYP2C19LMNA
SCHEMBL25747109 0.88 CYP3A4 (0.58) CYP3A4MAPTCYP2C9CYP2C19LMNA
SCHEMBL23243998 0.86 CYP3A4 (0.58) CYP3A4MAPTCYP2C9CYP2C19LMNA
SCHEMBL21332348 0.84 CYP3A4 (0.39) CYP3A4MAPTCYP2C9CYP2C19LMNA
SCHEMBL21518246 0.82 LMNA (0.53) CYP3A4MAPTCYP2C9CYP2C19LMNA
SCHEMBL21518244 0.81 LMNA (0.49) CYP3A4MAPTCYP2C9CYP2C19LMNA
SCHEMBL24807742 0.79 CYP3A4 (0.58) CYP3A4MAPTCYP2C9CYP2C19LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3762395-A1 NUCLEOTIDE PRECURSORS, NUCLEOTIDE ANALOGS AND OLIGOMERIC COMPOUNDS CONTAINING THE SAME Sanofi (FR) 2021-01-13 — — EP disclosed
WO-2019170731-A1 NUCLEOTIDE PRECURSORS, NUCLEOTIDE ANALOGS AND OLIGOMERIC COMPOUNDS CONTAINING THE SAME SANOFI (FR) 2019-09-12 — — WO disclosed
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