SCHEMBL9253668

SCHEMBL9253668

COC(=O)CCc1c(C)c(C)cc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 9/20 0.66
TBXAS1 P24557 9/20 0.58
HDAC8 Q9BY41 2/20 0.47

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
SCHEMBL9015506 0.91 TBXA2R (0.79) TBXA2RTBXAS1HDAC8
SCHEMBL9252158 0.89 TBXA2R (0.82) TBXA2RTBXAS1HDAC8
SCHEMBL8113935 0.87 TBXA2R (0.60) TBXA2RTBXAS1HDAC8
SCHEMBL9015440 0.86 TBXA2R (0.62) TBXA2RTBXAS1HDAC8
SCHEMBL8113951 0.85 TBXA2R (0.60) TBXA2RTBXAS1HDAC8
SCHEMBL9255961 0.84 TBXA2R (0.61) TBXA2RTBXAS1HDAC8
SCHEMBL8118703 0.84 TBXA2R (0.66) TBXA2RTBXAS1HDAC8
SCHEMBL8114147 0.84 TBXA2R (0.68) TBXA2RTBXAS1HDAC8
SCHEMBL9248299 0.83 TBXA2R (0.76) TBXA2RTBXAS1HDAC8
SCHEMBL8105847 0.83 TBXA2R (0.65) TBXA2RTBXAS1HDAC8

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
US-5472979-A Antithrombotics ADIR ET COMPAGNIE (FR) 1995-12-05 US disclosed