SCHEMBL9709739

SCHEMBL9709739

O=C(O)CCC(CCO)CCCCNS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 19/20 0.67
TBXA2R P21731 1/20 0.67

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
SCHEMBL9709594 0.87 TBXAS1 (0.54) TBXAS1TBXA2R
SCHEMBL9872542 0.81 TBXA2R (0.75) TBXAS1TBXA2R
SCHEMBL9869922 0.81 TBXA2R (0.75) TBXAS1TBXA2R
SCHEMBL9870095 0.81 TBXA2R (0.75) TBXAS1TBXA2R
SCHEMBL9870233 0.81 TBXA2R (0.75) TBXAS1TBXA2R
SCHEMBL9872413 0.81 TBXA2R (0.75) TBXAS1TBXA2R
SCHEMBL9871736 0.81 TBXA2R (0.75) TBXAS1TBXA2R
SCHEMBL9879916 0.81 TBXA2R (0.75) TBXAS1TBXA2R
SCHEMBL9733176 0.81 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL9710116 0.81 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 4 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
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP 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