SCHEMBL7766568

SCHEMBL7766568

O=C(O)CC(CCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 19/20 0.80

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
Hydrochloric Acid SCHEMBL9732571 0.88 TBXAS1 (1.00) TBXAS1
Hydrochloric Acid SCHEMBL9732234 0.87 TBXAS1 (1.00) TBXAS1
Hydrochloric Acid SCHEMBL9732876 0.86 TBXAS1 (1.00) TBXAS1
Hydrochloric Acid SCHEMBL9733520 0.86 TBXAS1 (1.00) TBXAS1
SCHEMBL3515640 0.86 TBXAS1 (0.73) TBXAS1
SCHEMBL3515637 0.85 TBXAS1 (0.80) TBXAS1
SCHEMBL9733697 0.82 TBXAS1 (0.82) TBXAS1
SCHEMBL9732595 0.80 TBXAS1 (1.00) TBXAS1
SCHEMBL9733967 0.78 TBXAS1 (0.88) TBXAS1
SCHEMBL9222782 0.78 TBXAS1 (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001089519-A1 THROMBOXANE INHIBITORS, COMPOSITIONS AND METHODS OF USE RELATED APPLICATIONS NITROMED, INC. (US) 2001-11-29 WO disclosed