SCHEMBL9710086

SCHEMBL9710086

O=C(O)CCC(CCCCO)CCCc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 20/20 0.62
TBXA2R P21731 1/20 0.61

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
SCHEMBL9710082 1.00 TBXAS1 (0.62) TBXAS1TBXA2R
SCHEMBL9732269 0.89 TBXAS1 (0.60) TBXAS1TBXA2R
SCHEMBL9732992 0.80 TBXAS1 (0.85) TBXAS1TBXA2R
SCHEMBL9731854 0.80 TBXAS1 (0.63) TBXAS1
SCHEMBL9709545 0.79 TBXAS1 (0.63) TBXAS1TBXA2R
SCHEMBL9709547 0.79 TBXAS1 (0.63) TBXAS1TBXA2R
SCHEMBL1583762 0.79 TBXAS1 (0.90) TBXAS1
SCHEMBL30612524 0.79 TBXAS1 (0.90) TBXAS1
SCHEMBL1858925 0.78 HDAC1 (0.58)
SCHEMBL744045 0.77 TBXAS1 (1.00) TBXAS1

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