SCHEMBL4067972

SCHEMBL4067972

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cccn2cc(C)nc12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HCRTR2 O43614 1/20 0.30

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
SCHEMBL4067977 1.00 HSD17B10 (0.33) HSD17B10KDM4EHPGDALDH1A1HCRTR2
SCHEMBL4067744 0.88 KDM4E (0.36) HSD17B10KDM4EHPGDALDH1A1
SCHEMBL4071056 0.88 KDM4E (0.36) HSD17B10KDM4EHPGDALDH1A1
SCHEMBL4067747 0.88 KDM4E (0.36) HSD17B10KDM4EHPGDALDH1A1
SCHEMBL4066124 0.87 HTR4 (0.37) HCRTR2
SCHEMBL4066121 0.87 HTR4 (0.37) HCRTR2
SCHEMBL4062239 0.87 DHODH (0.43) HSD17B10KDM4EHPGDALDH1A1
SCHEMBL4062237 0.87 DHODH (0.43) HSD17B10KDM4EHPGDALDH1A1
SCHEMBL4063303 0.85 KDM4E (0.34) HSD17B10KDM4EHPGDALDH1A1
SCHEMBL4063309 0.85 KDM4E (0.34) HSD17B10KDM4EHPGDALDH1A1

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