SCHEMBL8552261

SCHEMBL8552261

CC(C(=O)O)c1ccc(Cc2nc(-c3ccccc3)c(-c3ccccc3S(N)(=O)=O)o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 18/20 0.45
RXRA P19793 4/20 0.45
RXRB P28702 2/20 0.42
NR4A1 P22736 2/20 0.39
NR4A3 Q92570 2/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL8556768 0.85 NR4A2 (0.45) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL9098566 0.83 RXRA (0.54) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL8551313 0.83 NR4A2 (0.41) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL9097865 0.81 NR4A2 (0.41) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL8560532 0.81 RXRA (0.46) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL8546881 0.79 NR4A2 (0.52) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL9097717 0.79 RXRA (0.41) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL8552554 0.79 RXRA (0.39) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL8561129 0.79 PTGS2 (0.44) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL8555226 0.79 RXRA (0.46) NR4A2RXRARXRBNR4A1NR4A3

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-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP claimed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO claimed