SCHEMBL27730447

SCHEMBL27730447

OC[C@H]1O[C@@H](CCc2cccc(F)c2)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 12/20 0.53
▸ ADORA2A P29274 2/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL24316905 0.89 TAAR1 (0.47) SLC5A2TAAR1
SCHEMBL27730426 0.85 SLC5A2 (0.49) SLC5A2
SCHEMBL27709968 0.84 SLC5A2 (0.52) SLC5A2ADORA2AADORA3ADORA1ADORA2B
SCHEMBL30543470 0.83 SLC5A2 (0.48) SLC5A2ADORA2AADORA3ADORA1ADORA2B
SCHEMBL27709960 0.83 SLC5A2 (0.48) SLC5A2ADORA2AADORA3ADORA1ADORA2B
SCHEMBL15820460 0.83 SLC5A2 (0.78) SLC5A2
SCHEMBL15820463 0.83 SLC5A2 (0.78) SLC5A2
SCHEMBL3293832 0.83 SLC5A2 (0.60) SLC5A2
SCHEMBL3293828 0.83 SLC5A2 (0.60) SLC5A2
SCHEMBL12459452 0.81 SLC5A2 (0.57) SLC5A2

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
CN-101255178-A C-glycoside and C-glycoside compound containing substituted aromatic rings as well as preparation and use thereofb RADIATION MEDICAL INST PLA ACA (CN) 2008-09-03 — — CN claimed
CN-101255178-A C-glycoside and C-glycoside compound containing substituted aromatic rings as well as preparation and use thereofb RADIATION MEDICAL INST PLA ACA (CN) 2008-09-03 — — CN disclosed
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