SCHEMBL5694073

SCHEMBL5694073

COc1ccccc1COC[C@@H](O)[C@H](O)[C@@H](O)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
LMNA P02545 2/20 0.45
AGTR1 P30556 1/20 0.45
CYP1A2 P05177 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 2/20 0.39
ABCB1 P08183 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL3952965 0.91 IDO1 (0.49) IDO1LMNAAGTR1CYP1A2MEN1
SCHEMBL5694034 0.87 MEN1 (0.43) IDO1LMNAAGTR1CYP1A2MEN1
SCHEMBL5595885 0.83 CYP1A2 (0.61) IDO1LMNAAGTR1CYP1A2MEN1
SCHEMBL5878268 0.83 CYP1A2 (0.61) IDO1LMNAAGTR1CYP1A2MEN1
SCHEMBL7969377 0.79 IDO1 (0.53) IDO1LMNAAGTR1CYP1A2MEN1
SCHEMBL26654 0.75 IDO1 (0.69) IDO1LMNAGAAMAPTHTT
SCHEMBL13595479 0.74 CA1 (0.54) KMT2AHTTTSHRKDM4E
SCHEMBL13595470 0.74 CA1 (0.54) KMT2AHTTTSHRKDM4E
SCHEMBL13108196 0.74 CA1 (0.54) KMT2AHTTTSHRKDM4E
SCHEMBL10587310 0.74 CA1 (0.54) KMT2AHTTTSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1653945-A2 GLYCOSIDASE INHIBITORS AND METHODS OF SYNTHESIZING SAME SIMON FRASER UNIVERSITY (CA) 2006-05-10 EP disclosed
WO-2004113289-A2 GLYCOSIDASE INHIBITORS AND METHODS OF SYNTHESIZING SAME SIMON FRASER UNIVERSITY (CA) 2004-12-29 WO disclosed