SCHEMBL28407124

SCHEMBL28407124

CCOc1ccc(Cc2cccc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 20/20 0.77
▸ SLC5A1 P13866 3/20 0.70
▸ ADRA2A P08913 1/20 0.70
▸ SLC5A11 Q8WWX8 1/20 0.70

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
SCHEMBL17623721 0.99 SLC5A2 (0.76) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13513849 0.87 SLC5A2 (0.69) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL12387054 0.87 SLC5A2 (1.00) SLC5A2SLC5A1
SCHEMBL24849985 0.85 SLC5A2 (0.73) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13513806 0.84 SLC5A2 (1.00) SLC5A2
SCHEMBL797470 0.84 SLC5A2 (1.00) SLC5A2
SCHEMBL1038177 0.84 SLC5A2 (1.00) SLC5A2SLC5A1
SCHEMBL16361652 0.84 SLC5A2 (0.68) SLC5A2SLC5A1ADRA2ASLC5A11
Dapagliflozin SCHEMBL29244077 0.84 SLC5A2 (0.98) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL12167084 0.84 SLC5A2 (0.65) SLC5A2SLC5A1ADRA2ASLC5A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 — — CN claimed
CN-111265668-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-06-12 — — CN claimed
CN-111265512-A Composition containing a mixture of benzyl benzene derivatives and uses thereof 黄泳华 2020-06-12 — — CN claimed
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 — — CN disclosed
CN-111265668-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-06-12 — — CN disclosed
CN-111265512-A Composition containing a mixture of benzyl benzene derivatives and uses thereof 黄泳华 2020-06-12 — — CN disclosed
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