SCHEMBL8700630

SCHEMBL8700630

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 1/20 0.54
▸ AKT1 P31749 1/20 0.54
▸ PTK2 Q05397 1/20 0.54
▸ TSHR P16473 1/20 0.48
▸ PAX8 Q06710 1/20 0.48
▸ P4HB P07237 1/20 0.47
▸ PDIA4 P13667 1/20 0.47
▸ PDIA3 P30101 1/20 0.47
▸ CA1 P00915 9/20 0.46
▸ CA2 P00918 9/20 0.46
▸ CA9 Q16790 9/20 0.46
▸ CA12 O43570 8/20 0.46
▸ CA14 Q9ULX7 2/20 0.46
▸ CYP2D6 P10635 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL8700625 1.00 PRKCA (0.54) PRKCAAKT1PTK2TSHRPAX8
SCHEMBL9149501 0.92 TSHR (0.53) PRKCAAKT1PTK2TSHRPAX8
SCHEMBL8000129 0.92 TSHR (0.53) PRKCAAKT1PTK2TSHRPAX8
SCHEMBL11060111 0.92 TSHR (0.53) PRKCAAKT1PTK2TSHRPAX8
SCHEMBL11060106 0.92 TSHR (0.53) PRKCAAKT1PTK2TSHRPAX8
SCHEMBL9149506 0.92 TSHR (0.53) PRKCAAKT1PTK2TSHRPAX8
SCHEMBL8622350 0.91 PRKCA (0.57) PRKCAAKT1PTK2TSHRPAX8
SCHEMBL8622347 0.91 PRKCA (0.57) PRKCAAKT1PTK2TSHRPAX8
SCHEMBL8823105 0.86 PRKCA (0.52) PRKCAAKT1PTK2TSHRPAX8
SCHEMBL10601479 0.85 PRKCA (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753631-A Intercellular adhesion mediators CYTEL CORPORATION (US) 1998-05-19 — — US disclosed
US-5576305-A Intercellular adhesion mediators CYTEL CORPORATION (US) 1996-11-19 — — US disclosed
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