SCHEMBL9732602

SCHEMBL9732602

O=C(O)CCC(CCCCNS(=O)(=O)c1ccc(C(=O)O)cc1)CCCn1ccnc1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 17/20 0.83
ALDH1A1 P00352 1/20 0.54
TBXA2R P21731 1/20 0.51
KMT2A Q03164 1/20 0.48

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
SCHEMBL9732257 0.91 TBXAS1 (0.84) TBXAS1ALDH1A1TBXA2R
SCHEMBL9732578 0.91 TBXAS1 (0.83) TBXAS1ALDH1A1TBXA2RKMT2A
SCHEMBL9732907 0.91 TBXAS1 (0.83) TBXAS1ALDH1A1TBXA2R
SCHEMBL9733927 0.91 TBXAS1 (1.00) TBXAS1ALDH1A1TBXA2R
SCHEMBL9733325 0.88 TBXAS1 (0.79) TBXAS1ALDH1A1TBXA2R
SCHEMBL9732565 0.88 TBXAS1 (0.79) TBXAS1ALDH1A1TBXA2R
SCHEMBL9733176 0.87 TBXAS1 (1.00) TBXAS1ALDH1A1TBXA2R
SCHEMBL9732282 0.86 TBXAS1 (0.82) TBXAS1ALDH1A1TBXA2R
SCHEMBL9734329 0.85 TBXAS1 (0.75) TBXAS1ALDH1A1TBXA2R
SCHEMBL9732738 0.78 TBXAS1 (0.77) TBXAS1ALDH1A1TBXA2R

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