SCHEMBL8823105

SCHEMBL8823105

CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@@H](O)O[C@@H]2CO)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 1/20 0.52
▸ AKT1 P31749 1/20 0.52
▸ PTK2 Q05397 1/20 0.52
▸ PAX8 Q06710 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ P4HB P07237 1/20 0.45
▸ PDIA4 P13667 1/20 0.45
▸ PDIA3 P30101 1/20 0.45
▸ CA1 P00915 9/20 0.44
▸ CA2 P00918 9/20 0.44
▸ CA9 Q16790 9/20 0.44
▸ CA12 O43570 8/20 0.44
▸ CA14 Q9ULX7 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL8622347 0.89 PRKCA (0.57) PRKCAAKT1PTK2PAX8TSHR
SCHEMBL8622350 0.89 PRKCA (0.57) PRKCAAKT1PTK2PAX8TSHR
SCHEMBL15061506 0.89 TSHR (0.54) PRKCAAKT1PTK2PAX8TSHR
SCHEMBL4178428 0.89 TSHR (0.54) PRKCAAKT1PTK2PAX8TSHR
SCHEMBL1527148 0.89 TSHR (0.54) PRKCAAKT1PTK2PAX8TSHR
SCHEMBL4178413 0.89 TSHR (0.54) PRKCAAKT1PTK2PAX8TSHR
SCHEMBL16328963 0.89 TSHR (0.54) PRKCAAKT1PTK2PAX8TSHR
SCHEMBL8700625 0.86 PRKCA (0.54) PRKCAAKT1PTK2PAX8TSHR
SCHEMBL8700630 0.86 PRKCA (0.54) PRKCAAKT1PTK2PAX8TSHR
SCHEMBL10603093 0.85 PRKCA (0.47) PRKCAAKT1PTK2PAX8TSHR

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-1997014707-A1 SIALYL Lex ANALOGUES AS INHIBITORS OF CELLULAR ADHESION CYTEL CORPORATION (US) 1997-04-24 — — WO disclosed
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