SCHEMBL28290744

SCHEMBL28290744

C=CCO[C@@H]1O[C@H](COC(=O)c2ccc(-c3ccccc3)cc2)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYNJ2 O15056 3/20 0.42
TYMP P19971 1/20 0.42
XDH P47989 1/20 0.42
MAOB P27338 1/20 0.41
SLC22A1 O15245 1/20 0.40
SLC1A5 Q15758 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HK1 P19367 1/20 0.39
HK2 P52789 1/20 0.39

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
SCHEMBL21112979 0.89 MAOB (0.45) SYNJ2TYMPXDHMAOBSLC22A1
SCHEMBL23488147 0.86 SMN1; SMN2 (0.47) SYNJ2TYMPXDHMAOBSLC22A1
SCHEMBL23488254 0.86 CHRNB2 (0.45) SYNJ2TYMPXDHMAOB
SCHEMBL21112930 0.83 TYMP (0.43) SYNJ2TYMPXDHMAOBSLC22A1
SCHEMBL16018720 0.80 LGALS3 (0.45) SYNJ2TYMP
SCHEMBL27464799 0.80 PTPN1 (0.47) MAOB
SCHEMBL23488275 0.80 TYMP (0.39) TYMPXDHMAOB
SCHEMBL23488685 0.79 XDH (0.51) TYMPXDHKDM4E
SCHEMBL19613824 0.78 PTPN1 (0.44)
SCHEMBL16253826 0.77 SYNJ2 (0.52) SYNJ2TYMPMAOBSLC22A1

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
CN-109562185-A Novel conjugates of agents and moieties capable of binding to glucose-sensing proteins 赛诺菲 2019-04-02 CN disclosed