SCHEMBL8550595

SCHEMBL8550595

Cc1cc(Cc2nc(-c3ccccc3)c(-c3ccccc3S(N)(=O)=O)o2)ccc1C#CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 13/20 0.43
RXRA P19793 10/20 0.43
RXRB P28702 8/20 0.43
RXRG P48443 4/20 0.37
NR4A1 P22736 2/20 0.36
NR4A3 Q92570 2/20 0.36

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
SCHEMBL9097865 0.86 NR4A2 (0.41) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL8556768 0.79 NR4A2 (0.45) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL9097717 0.78 RXRA (0.41) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL9098566 0.77 RXRA (0.54) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL8552554 0.77 RXRA (0.39) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL8552261 0.77 NR4A2 (0.45) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL8560532 0.76 RXRA (0.46) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL8551313 0.76 NR4A2 (0.41) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL8555499 0.76 RXRA (0.49) NR4A2RXRARXRBRXRG
SCHEMBL8561401 0.76 MAOB (0.41) NR4A2RXRARXRBRXRG

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 disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed