SCHEMBL6986408

SCHEMBL6986408

CCCCc1oc2ccccc2c1C(=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EYA3 Q99504 2/20 0.65
PTPN1 P18031 1/20 0.65
NR1H4 Q96RI1 1/20 0.64
SIRT3 Q9NTG7 13/20 0.62
KDM5A P29375 1/20 0.62
KDM7A Q6ZMT4 1/20 0.62
TTR P02766 1/20 0.55
THRA P10827 1/20 0.54
THRB P10828 1/20 0.54

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
SCHEMBL6593771 0.88 NR1H4 (0.55) EYA3PTPN1NR1H4
SCHEMBL15121511 0.86 ESR1 (0.51) EYA3PTPN1NR1H4
SCHEMBL6140267 0.85 SIRT3 (0.49) EYA3PTPN1NR1H4SIRT3
SCHEMBL6140406 0.84 ESR1 (0.51)
SCHEMBL25389194 0.83 KDM5A (0.84) EYA3PTPN1NR1H4SIRT3KDM5A
SCHEMBL29736895 0.83 EYA3 (0.76) EYA3PTPN1NR1H4SIRT3KDM5A
SCHEMBL9591605 0.83 EYA3 (0.76) EYA3PTPN1NR1H4SIRT3KDM5A
SCHEMBL25389924 0.83 EYA3 (0.82) EYA3PTPN1NR1H4SIRT3KDM5A
SCHEMBL15121439 0.83 ESR1 (0.48) NR1H4
SCHEMBL15121438 0.83 ESR1 (0.70)

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
EP-1315708-A1 AMINOALKENYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2003-06-04 EP disclosed
WO-2002016338-A1 AMINOALKENYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-02-28 WO disclosed