SCHEMBL6048083

SCHEMBL6048083

CO[C@H]1O[C@H](C(O)C(=O)c2ccccc2)[C@@](O)([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@](O)(C(=O)c2ccccc2)[C@]1(O)C(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAOB P27338 1/20 0.32
LGALS9 O00182 1/20 0.32
LGALS1 P09382 1/20 0.32
LGALS3 P17931 1/20 0.32
LGALS7; LGALS7B P47929 1/20 0.32
SYNJ2 O15056 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ABL1 P00519 1/20 0.32
ALPL P05186 1/20 0.32
POLB P06746 1/20 0.32
ALPI P09923 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALPG P10696 1/20 0.32
PABPC1 P11940 1/20 0.32
RECQL P46063 1/20 0.32
GALK1 P51570 1/20 0.32
CASP7 P55210 1/20 0.32
CASP6 P55212 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
SCHEMBL9751536 0.88 MAOB (0.33) ALDH1A1MAOB
SCHEMBL7638594 0.76 HIF1A (0.37) ALDH1A1KDM4EPOLBMAPT
SCHEMBL9751489 0.74
SCHEMBL5798396 0.71
SCHEMBL5808045 0.70 HIF1A (0.34) ALDH1A1KDM4EPOLBMAPT
SCHEMBL379830 0.70 CES2 (0.32)
SCHEMBL27844267 0.70 CES2 (0.32)
SCHEMBL4629214 0.68 HIF1A (0.32)
SCHEMBL5679847 0.68
SCHEMBL16897856 0.67 CES1 (0.32)

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
WO-2006055437-A2 SYNTHESIS AND USE OF GLYCODENDRIMER REAGENTS GENENCOR INTERNATIONAL, INC. (US) 2006-05-26 WO disclosed