SCHEMBL9792043

SCHEMBL9792043

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

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 7/20 0.74
▸ PTGDR Q13258 18/20 0.66
▸ PTGIR P43119 3/20 0.66
▸ TBXAS1 P24557 1/20 0.61

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
SCHEMBL9792037 1.00 TBXA2R (0.74) TBXA2RPTGDRPTGIRTBXAS1
SCHEMBL9792052 1.00 TBXA2R (0.74) TBXA2RPTGDRPTGIRTBXAS1
SCHEMBL9792048 1.00 TBXA2R (0.74) TBXA2RPTGDRPTGIRTBXAS1
SCHEMBL9792090 0.92 TBXA2R (0.62) TBXA2RPTGDRPTGIR
SCHEMBL9792095 0.92 TBXA2R (0.62) TBXA2RPTGDRPTGIR
SCHEMBL9792075 0.92 TBXA2R (0.62) TBXA2RPTGDRPTGIR
SCHEMBL9792081 0.92 TBXA2R (0.62) TBXA2RPTGDRPTGIR
SCHEMBL9792067 0.91 PTGDR (0.61) TBXA2RPTGDRPTGIR
SCHEMBL9792034 0.91 TBXA2R (0.61) TBXA2RPTGDRPTGIRTBXAS1
SCHEMBL9792051 0.91 PTGDR (0.61) TBXA2RPTGDRPTGIR

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
US-5002972-A Compound and composition of substituted hexenoic acid derivatives useful for treating thromboxane A2 mediated diseases SHIONOGI & CO., LTD. (JP) 1991-03-26 — — US disclosed
EP-0384747-A1 Pharmaceutical or veterinary preparations of substituted hexenoic acid derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1990-08-29 — — EP disclosed
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