SCHEMBL8495531

SCHEMBL8495531

CC(=O)[C]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.47
LMNA P02545 1/20 0.47
OGA O60502 6/20 0.45
TSHR P16473 1/20 0.39
PYGB P11216 5/20 0.35
GAA P10253 2/20 0.35
MANBA O00462 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC28A3 Q9HAS3 3/20 0.34

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
SCHEMBL5666062 1.00 GBA1 (0.47) GBA1LMNAOGATSHRPYGB
SCHEMBL4207953 0.94 GBA1 (0.55) GBA1LMNAOGATSHRPYGB
SCHEMBL9297697 0.94 GBA1 (0.55) GBA1LMNAOGATSHRPYGB
SCHEMBL321985 0.94 GBA1 (0.55) GBA1LMNAOGATSHRPYGB
SCHEMBL18427840 0.79 OGA (0.45) GBA1LMNAOGATSHRPYGB
SCHEMBL3675624 0.74 GBA1 (0.55) GBA1LMNAOGATSHRPYGB
SCHEMBL7826551 0.72 OGA (0.42) GBA1LMNAOGATSHRGAA
SCHEMBL5162383 0.71 SMN1; SMN2 (0.37)
SCHEMBL668693 0.71 GBA1 (0.50) GBA1LMNAOGATSHRPYGB
SCHEMBL17978030 0.71 GBA1 (0.50) GBA1LMNAOGATSHRPYGB

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
US-5861503-A FLUORINATING WITH FLUORINE OR ACETYL HYPOFLUORITE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-01-19 US disclosed
US-5646125-A Polysubstituted benzimidazoles as antiviral agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1997-07-08 US disclosed
EP-0354180-A2 Certain imidazo[4,5-b]pyridine derivatives CIBA-GEIGY AG (CH) 1990-02-07 EP disclosed