SCHEMBL8780695

SCHEMBL8780695

O=C(c1ccccc1)C(O)[C@H]1O[C@H](OBr)[C@@](O)(Cc2ccccc2)[C@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.34
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRIN2B Q13224 1/20 0.31
HIF1A Q16665 1/20 0.30
EPAS1 Q99814 1/20 0.30
CES2 O00748 1/20 0.30
LMNA P02545 1/20 0.30
CES1 P23141 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
SCHEMBL11215267 0.73 HIF1A (0.34) MDM2KMT2AGRIN2BHIF1AEPAS1
SCHEMBL14127766 0.72 GRIN2B (0.36) KMT2AGRIN2BLMNA
SCHEMBL5798396 0.72
SCHEMBL5983969 0.71 HTT (0.34)
SCHEMBL27844267 0.71 CES2 (0.32) HIF1AEPAS1CES2LMNACES1
SCHEMBL6883876 0.71
SCHEMBL379830 0.71 CES2 (0.32) HIF1AEPAS1CES2LMNACES1
SCHEMBL9192197 0.71
SCHEMBL6891299 0.71
SCHEMBL4627136 0.70

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775151-A2 SIALIC ACID/FUCOSE BASED MEDICAMENTS GLYCOMED INCORPORATED (US) 1997-05-28 EP disclosed
WO-1996005209-A9 SIALIC ACID/FUCOSE BASED MEDICAMENTS 1996-04-11 WO disclosed
WO-1996005209-A2 SIALIC ACID/FUCOSE BASED MEDICAMENTS GLYCOMED, INCORPORATED (US) 1996-02-22 WO disclosed