SCHEMBL5694034

SCHEMBL5694034

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
IDO1 P14902 2/20 0.43
LMNA P02545 2/20 0.42
AGTR1 P30556 1/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR7 P34969 1/20 0.37
ABCB1 P08183 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL5694073 0.87 IDO1 (0.46) MEN1KMT2AIDO1LMNAAGTR1
SCHEMBL3952965 0.84 IDO1 (0.49) MEN1KMT2AIDO1LMNAAGTR1
SCHEMBL5595885 0.80 CYP1A2 (0.61) MEN1KMT2AIDO1LMNAAGTR1
SCHEMBL5878268 0.80 CYP1A2 (0.61) MEN1KMT2AIDO1LMNAAGTR1
SCHEMBL7969377 0.76 IDO1 (0.53) MEN1KMT2AIDO1LMNAAGTR1
SCHEMBL26654 0.72 IDO1 (0.69) IDO1LMNAGAAMAPTHTT
SCHEMBL694510 0.70 IDO1 (0.56) IDO1LMNAGAAMAPTALDH1A1
SCHEMBL7956663 0.68 IDO1 (0.54) MEN1KMT2AIDO1LMNAGAA
SCHEMBL3655669 0.67 IDO1 (0.53) IDO1LMNAABCB1TAAR1CHRM2
SCHEMBL585111 0.67 IDO1 (0.62) IDO1LMNAGAAMAPTHTT

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