SCHEMBL5801475

SCHEMBL5801475

CC(C)(C)c1ccc(CCC(=O)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.72
NR1H4 Q96RI1 8/20 0.72
PPARG P37231 1/20 0.72

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
SCHEMBL5800933 0.89 EPHX2 (0.67) EPHX2NR1H4PPARG
SCHEMBL5823636 0.86 EPHX2 (0.55) EPHX2NR1H4PPARG
SCHEMBL21990340 0.84 EPHX2 (1.00) EPHX2NR1H4PPARG
SCHEMBL5801528 0.80 EPHX2 (0.60) EPHX2NR1H4
SCHEMBL22059490 0.77 EPHX2 (0.75) EPHX2NR1H4PPARG
SCHEMBL22060060 0.76 EPHX2 (0.66) EPHX2NR1H4PPARG
SCHEMBL5800996 0.75
SCHEMBL5715986 0.75 EPHX2 (0.59) EPHX2NR1H4PPARG
SCHEMBL5803989 0.75
SCHEMBL22059489 0.74 EPHX2 (0.82) EPHX2NR1H4PPARG

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-2006098554-A1 NOVEL COMPOUNDS, ISOMER THEREOF OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2006-09-21 WO disclosed