SCHEMBL4067747

SCHEMBL4067747

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 2/20 0.31
MAPK1 P28482 1/20 0.31
TSHR P16473 1/20 0.30
HTT P42858 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
SCHEMBL4067744 1.00 KDM4E (0.36) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL4071056 1.00 KDM4E (0.36) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL4063303 0.89 KDM4E (0.34) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL4063309 0.89 KDM4E (0.34) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL4067972 0.88 HSD17B10 (0.33) KDM4EHSD17B10HPGDALDH1A1
SCHEMBL4067977 0.88 HSD17B10 (0.33) KDM4EHSD17B10HPGDALDH1A1
SCHEMBL4066121 0.86 HTR4 (0.37)
SCHEMBL4066124 0.86 HTR4 (0.37)
SCHEMBL4062239 0.85 DHODH (0.43) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL4062237 0.85 DHODH (0.43) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2

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