SCHEMBL27730413

SCHEMBL27730413

NCc1ccc(C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 12/20 0.43
▸ CA12 O43570 3/20 0.40
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ TYR P14679 1/20 0.40

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
SCHEMBL27730459 0.87 SLC5A2 (0.48) SLC5A2
SCHEMBL15820964 0.86 SLC5A2 (0.51) SLC5A2ACHETYR
SCHEMBL15820966 0.86 SLC5A2 (0.51) SLC5A2ACHETYR
SCHEMBL27730414 0.84 TYR (0.55) SLC5A2CA12CA1CA2CA9
SCHEMBL8224471 0.83 SLC5A2 (0.55) SLC5A2
SCHEMBL29197613 0.83 SLC29A1 (0.40) SLC5A2ACHETYR
SCHEMBL27709971 0.83 SLC29A1 (0.40) SLC5A2ACHETYR
SCHEMBL15981949 0.83 ACHE (0.43) SLC5A2ACHETYR
SCHEMBL12844835 0.83 SLC5A2 (0.55) SLC5A2
SCHEMBL29197612 0.83 SLC29A1 (0.40) SLC5A2ACHETYR

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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