SCHEMBL9709734

SCHEMBL9709734

COC(=O)CCC(CCCc1cccnc1)OCCCN(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 20/20 0.48
TBXA2R P21731 3/20 0.42

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
SCHEMBL9709680 0.88 TBXAS1 (0.44) TBXAS1TBXA2R
SCHEMBL9709648 0.81 TBXAS1 (0.46) TBXAS1TBXA2R
SCHEMBL9709988 0.81 TBXAS1 (0.61) TBXAS1TBXA2R
SCHEMBL9709688 0.81 TBXAS1 (0.61) TBXAS1TBXA2R
SCHEMBL9709978 0.79 TBXAS1 (0.54) TBXAS1TBXA2R
SCHEMBL9709571 0.76 TBXAS1 (0.67) TBXAS1TBXA2R
SCHEMBL9709572 0.72 TBXAS1 (0.78) TBXAS1TBXA2R
SCHEMBL9732860 0.72 TBXAS1 (0.53) TBXAS1TBXA2R
SCHEMBL9709119 0.72 TBXAS1 (0.71) TBXAS1TBXA2R
SCHEMBL9734351 0.71 TBXAS1 (0.64) 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 2 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