SCHEMBL9709680

SCHEMBL9709680

COC(=O)CCC(CCOc1cccnc1)OCCCN(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.44
F2 P00734 4/20 0.38
TBXA2R P21731 3/20 0.38
LTA4H P09960 1/20 0.37
TP53 P04637 1/20 0.36
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL9709734 0.88 TBXAS1 (0.48) TBXAS1TBXA2R
SCHEMBL9732860 0.82 TBXAS1 (0.53) TBXAS1F2TBXA2RCHRNB2CHRNA4
SCHEMBL9734351 0.81 TBXAS1 (0.64) TBXAS1TBXA2R
SCHEMBL9709758 0.81 TBXAS1 (0.64) TBXAS1TBXA2R
SCHEMBL9709586 0.77 TBXAS1 (0.62) TBXAS1TBXA2R
SCHEMBL9709681 0.72 TBXAS1 (0.77) TBXAS1TBXA2R
SCHEMBL9709648 0.71 TBXAS1 (0.46) TBXAS1TBXA2R
SCHEMBL9709688 0.70 TBXAS1 (0.61) TBXAS1TBXA2R
SCHEMBL9709988 0.70 TBXAS1 (0.61) TBXAS1TBXA2R
SCHEMBL9709717 0.70 TBXAS1 (0.84) 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