SCHEMBL8622347

SCHEMBL8622347

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](OC(C)=O)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 1/20 0.57
▸ AKT1 P31749 1/20 0.57
▸ PTK2 Q05397 1/20 0.57
▸ TSHR P16473 1/20 0.51
▸ PAX8 Q06710 1/20 0.50
▸ P4HB P07237 1/20 0.49
▸ PDIA4 P13667 1/20 0.49
▸ PDIA3 P30101 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ CA12 O43570 8/20 0.47
▸ CA1 P00915 8/20 0.47
▸ CA2 P00918 8/20 0.47
▸ CA9 Q16790 8/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CA14 Q9ULX7 2/20 0.46

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
SCHEMBL8622350 1.00 PRKCA (0.57) PRKCAAKT1PTK2TSHRPAX8
SCHEMBL13435245 0.94 TSHR (0.54) PRKCAAKT1PTK2TSHRPAX8
SCHEMBL230378 0.94 TSHR (0.54) PRKCAAKT1PTK2TSHRPAX8
SCHEMBL2786496 0.94 TSHR (0.54) PRKCAAKT1PTK2TSHRPAX8
SCHEMBL7028051 0.94 TSHR (0.54) PRKCAAKT1PTK2TSHRPAX8
SCHEMBL16327524 0.94 TSHR (0.54) PRKCAAKT1PTK2TSHRPAX8
SCHEMBL13461633 0.94 TSHR (0.54) PRKCAAKT1PTK2TSHRPAX8
SCHEMBL230379 0.94 TSHR (0.54) PRKCAAKT1PTK2TSHRPAX8
SCHEMBL1527155 0.94 TSHR (0.54) PRKCAAKT1PTK2TSHRPAX8
SCHEMBL7028056 0.94 TSHR (0.54) PRKCAAKT1PTK2TSHRPAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5854218-A Sialyl Lex analogues as inhibitors of cellular adhesion CYTEL CORPORATION (US) 1998-12-29 — — US disclosed
US-5811404-A INHIBIT CELLULAR ADHESION BETWEEN SELECTIN AND CELLS THAT EXPRESSES SIALYL LEWISX ON SURFACES CYTEL CORPORATION (US) 1998-09-22 — — US disclosed
US-5604207-A INHIBIT SELECTIN MEDIATED CELLULAR ADHESION; TREATING INFLAMMATION, BLOOD CLOTTING CYTEL CORPORATION (US) 1997-02-18 — — US disclosed
WO-1994026760-A1 SIALYL Lex ANALOGUES AS INHIBITORS OF CELLULAR ADHESION CYTEL CORPORATION (US) 1994-11-24 — — WO disclosed
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