SCHEMBL19525536

SCHEMBL19525536

CC(=O)N[C@H]1C(OC(C)=O)[C@@H](OC(C)=O)C(COC(C)=O)O[C@H]1OCCOCCOCCN

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ POLB P06746 2/20 0.55
▸ LMNA P02545 4/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.47
▸ THRB P10828 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CA2 P00918 10/20 0.43
▸ CA1 P00915 9/20 0.43
▸ CA9 Q16790 9/20 0.43
▸ CA12 O43570 8/20 0.43
▸ MMP12 P39900 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ TGM2 P21980 1/20 0.40

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
SCHEMBL19935012 1.00 CYP3A4 (0.59) CYP3A4MAPTCYP2C9CYP2C19POLB
SCHEMBL13785420 1.00 CYP3A4 (0.59) CYP3A4MAPTCYP2C9CYP2C19POLB
SCHEMBL734535 1.00 CYP3A4 (0.59) CYP3A4MAPTCYP2C9CYP2C19POLB
SCHEMBL19930046 1.00 CYP3A4 (0.59) CYP3A4MAPTCYP2C9CYP2C19POLB
SCHEMBL24238614 1.00 CYP3A4 (0.59) CYP3A4MAPTCYP2C9CYP2C19POLB
SCHEMBL24824205 1.00 CYP3A4 (0.59) CYP3A4MAPTCYP2C9CYP2C19POLB
SCHEMBL24806634 1.00 CYP3A4 (0.59) CYP3A4MAPTCYP2C9CYP2C19POLB
SCHEMBL24806648 1.00 CYP3A4 (0.59) CYP3A4MAPTCYP2C9CYP2C19POLB
SCHEMBL24294505 1.00 CYP3A4 (0.59) CYP3A4MAPTCYP2C9CYP2C19POLB
SCHEMBL21730994 1.00 CYP3A4 (0.59) CYP3A4MAPTCYP2C9CYP2C19POLB

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
EP-3238738-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS Arbutus Biopharma Corporation (CA) 2017-11-01 — — EP disclosed
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