SCHEMBL9835966

SCHEMBL9835966

N#Cc1ccc(S(=O)(=O)NCCc2cccc(OCC(=O)O)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.61
TBXAS1 P24557 1/20 0.61
SGMS1 Q86VZ5 10/20 0.53
LSS P48449 1/20 0.53
CYP19A1 P11511 1/20 0.52
HTT P42858 1/20 0.51
AKR1C3 P42330 2/20 0.50
F2 P00734 1/20 0.48
PLG P00747 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
SCHEMBL9813017 0.88 TBXA2R (0.75) TBXA2RTBXAS1SGMS1HTTAKR1C3
SCHEMBL9812942 0.86 TBXA2R (0.62) TBXA2RTBXAS1SGMS1HTTAKR1C3
SCHEMBL9128686 0.86 TBXA2R (0.62) TBXA2RTBXAS1SGMS1HTTAKR1C3
SCHEMBL9127503 0.86 TBXA2R (0.69) TBXA2RTBXAS1SGMS1AKR1C3F2
SCHEMBL9129388 0.86 TBXA2R (0.62) TBXA2RTBXAS1SGMS1AKR1C3
SCHEMBL10779261 0.86 CYP19A1 (0.55) SGMS1LSSCYP19A1AKR1C3F2
SCHEMBL9269878 0.84 TBXA2R (0.57) TBXA2RTBXAS1LSSCYP19A1HTT
SCHEMBL9836463 0.83 TBXA2R (0.65) TBXA2RTBXAS1SGMS1AKR1C3F2
SCHEMBL9659360 0.83 TBXA2R (0.58) TBXA2RTBXAS1SGMS1CYP19A1HTT
SCHEMBL10772979 0.82 TBXA2R (0.57) TBXA2RTBXAS1SGMS1AKR1C3F2

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
EP-0239907-B1 PHENOXYALKANECARBOXYLIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1991-09-18 EP disclosed