SCHEMBL4066124

SCHEMBL4066124

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cccn3cc(C(C)C)nc23)SC[C@H]1OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 14/20 0.37
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL4066121 1.00 HTR4 (0.37) HTR4HCRTR1HCRTR2
SCHEMBL4067972 0.87 HSD17B10 (0.33) HCRTR2
SCHEMBL4067977 0.87 HSD17B10 (0.33) HCRTR2
SCHEMBL4071056 0.86 KDM4E (0.36)
SCHEMBL4067747 0.86 KDM4E (0.36)
SCHEMBL4067744 0.86 KDM4E (0.36)
SCHEMBL4063309 0.84 KDM4E (0.34)
SCHEMBL4063303 0.84 KDM4E (0.34)
SCHEMBL4062239 0.84 DHODH (0.43)
SCHEMBL4062237 0.84 DHODH (0.43)

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-2041153-B1 NEW 5-THIOXYLOPYRANOSE DERIVATIVES FOURNIER LAB SA (FR) 2009-10-21 EP disclosed