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Sugi Predict / Compounds / SCHEMBL9733016

SCHEMBL9733016

SCHEMBL9733016

CC(C)(CC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 20/20 1.00
▸ TBXA2R P21731 1/20 0.75

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
SCHEMBL9732668 0.91 TBXAS1 (0.84) TBXAS1TBXA2R
SCHEMBL9733051 0.86 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL9732549 0.86 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL9733855 0.86 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL9709519 0.85 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL9710116 0.85 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL9733988 0.85 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL9732884 0.84 TBXAS1 (0.81) TBXAS1TBXA2R
SCHEMBL9869838 0.84 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL9732209 0.83 TBXAS1 (1.00) TBXAS1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153214-A Treating cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1992-10-06 — — US disclosed
US-5025025-A Cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1991-06-18 — — US disclosed
EP-0405391-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1991-01-02 — — EP disclosed