Sugi Predict

Sugi Predict / Compounds / Domitroban

Domitroban

Domitroban

SCHEMBL3380908

O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 7/20 1.00
▸ PTGDR Q13258 18/20 0.88
▸ PTGIR P43119 3/20 0.88
▸ TBXAS1 P24557 1/20 0.83

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
Domitroban SCHEMBL361564 1.00 TBXA2R (1.00) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL7595949 1.00 TBXA2R (1.00) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL9198684 1.00 TBXA2R (1.00) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL13658118 1.00 TBXA2R (1.00) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL9875564 1.00 TBXA2R (1.00) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL361563 1.00 TBXA2R (1.00) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL2232264 1.00 TBXA2R (1.00) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL2232269 1.00 TBXA2R (1.00) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL2923394 1.00 TBXA2R (1.00) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL7600963 0.99 TBXA2R (0.98) TBXA2RPTGDRPTGIRTBXAS1

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-2010056053-A2 METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR 사단법인 분자설계연구소 (KR) 2010-05-20 — — WO disclosed