SCHEMBL26517127

SCHEMBL26517127

CC(=O)OCC1OC(OC(=N)C(Cl)(Cl)Cl)C(OC(C)=O)C(OCc2ccc3ccccc3c2)C1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 2/20 0.41
SSTR1 P30872 1/20 0.41
SSTR2 P30874 1/20 0.41
SSTR4 P31391 1/20 0.41
SSTR3 P32745 1/20 0.41
SSTR5 P35346 1/20 0.41
PYGL P06737 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
PRKCA P17252 1/20 0.40
AKT1 P31749 1/20 0.40
PTK2 Q05397 1/20 0.40
THRB P10828 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL19457698 0.90 POLB (0.53) POLBLMNATSHRKMT2ACYP2D6
SCHEMBL30612814 0.90 POLB (0.53) POLBLMNATSHRKMT2ACYP2D6
SCHEMBL12606126 0.83 NT5E (0.48) POLBLMNATSHRKMT2ACYP2D6
SCHEMBL5423704 0.83 NT5E (0.48) POLBLMNATSHRKMT2ACYP2D6
SCHEMBL13381004 0.83 NT5E (0.48) POLBLMNATSHRKMT2ACYP2D6
SCHEMBL3147435 0.83 NT5E (0.48) POLBLMNATSHRKMT2ACYP2D6
SCHEMBL244073 0.83 NT5E (0.48) POLBLMNATSHRKMT2ACYP2D6
SCHEMBL26102488 0.82 TSHR (0.50) POLBLMNATSHRKMT2ASSTR1
SCHEMBL4851588 0.81 CYP2D6 (0.56) LMNATSHRCYP2D6MAPK1THRB
SCHEMBL20552592 0.81 CYP2D6 (0.56) LMNATSHRCYP2D6MAPK1THRB

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
WO-2023074843-A1 NOVEL OLIGOSACCHARIDE, MANUFACTURING INTERMEDIATE FOR NOVEL OLIGOSACCHARIDE, AND METHOD FOR MANUFACTURING THESE 第一三共株式会社 2023-05-04 WO disclosed