Sugi Predict

Sugi Predict / Compounds / SCHEMBL27363337

SCHEMBL27363337

SCHEMBL27363337

CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 19/20 1.00
▸ SLC5A1 P13866 7/20 0.79
▸ ADRA2A P08913 1/20 0.79
▸ SLC5A11 Q8WWX8 1/20 0.79

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
SCHEMBL17623825 0.99 SLC5A2 (0.98) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL15471239 0.90 SLC5A2 (0.81) SLC5A2SLC5A1ADRA2ASLC5A11
Dapagliflozin SCHEMBL499725 0.88 SLC5A2 (1.00) SLC5A2SLC5A1ADRA2ASLC5A11
Dapagliflozin SCHEMBL14149845 0.88 SLC5A2 (1.00) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL18418931 0.88 SLC5A2 (0.79) SLC5A2SLC5A1ADRA2ASLC5A11
Dapagliflozin SCHEMBL23542057 0.88 SLC5A2 (1.00) SLC5A2SLC5A1ADRA2ASLC5A11
Dapagliflozin SCHEMBL19867556 0.88 SLC5A2 (1.00) SLC5A2SLC5A1ADRA2ASLC5A11
Dapagliflozin SCHEMBL16001389 0.88 SLC5A2 (1.00) SLC5A2SLC5A1ADRA2ASLC5A11
Dapagliflozin SCHEMBL15906654 0.88 SLC5A2 (1.00) SLC5A2SLC5A1ADRA2ASLC5A11
Dapagliflozin SCHEMBL15281296 0.88 SLC5A2 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024033519-A1 COMBINATION THERAPIES FOR TREATMENT OF CIRRHOSIS WITH PORTAL HYPERTENSION ASTRAZENECA AB (SE) 2024-02-15 — — WO disclosed