SCHEMBL9733165

SCHEMBL9733165

CC(C)(C)OC(=O)CCC(CCCI)CCCCNS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 17/20 0.51
TBXA2R P21731 2/20 0.50
HTT P42858 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL9732720 0.92 TBXAS1 (0.55) TBXAS1TBXA2RHTTALDH1A1TSHR
SCHEMBL9732788 0.84 TBXAS1 (0.53) TBXAS1TBXA2RHTT
SCHEMBL9732738 0.83 TBXAS1 (0.77) TBXAS1TBXA2RALDH1A1
SCHEMBL9732616 0.82 TBXAS1 (0.44) TBXAS1TBXA2R
SCHEMBL9709594 0.81 TBXAS1 (0.54) TBXAS1TBXA2RHTT
SCHEMBL9709574 0.78 TBXAS1 (0.54) TBXAS1TBXA2RHTT
SCHEMBL9732795 0.77 TBXAS1 (0.52) TBXAS1TBXA2RHTT
SCHEMBL9709739 0.75 TBXAS1 (0.67) TBXAS1TBXA2R
SCHEMBL9732175 0.73 TBXAS1 (0.74) TBXAS1TBXA2R
SCHEMBL9732801 0.72 TBXAS1 (0.82) 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