SCHEMBL8560360

SCHEMBL8560360

Cc1cc(C)cc(-c2nc(Cc3ccccc3)oc2-c2ccccc2S(N)(=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.44
RXRB P28702 8/20 0.44
RXRG P48443 4/20 0.44
NR4A2 P43354 6/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.35
MAOB P27338 1/20 0.35
FAAH O00519 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
NR4A1 P22736 1/20 0.34
NR4A3 Q92570 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL8555499 0.92 RXRA (0.49) RXRARXRBRXRGNR4A2NPC1
SCHEMBL8558000 0.91 RXRA (0.47) RXRARXRBRXRGNR4A2NPC1
SCHEMBL8560532 0.90 RXRA (0.46) RXRARXRBRXRGNR4A2ALDH1A1
SCHEMBL8556768 0.89 NR4A2 (0.45) RXRARXRBRXRGNR4A2ALDH1A1
SCHEMBL8561401 0.87 MAOB (0.41) RXRARXRBRXRGNR4A2NPC1
SCHEMBL8557928 0.87 RXRA (0.47) RXRARXRBRXRGNR4A2ALDH1A1
SCHEMBL8555605 0.87 RXRA (0.44) RXRARXRBRXRGNR4A2MEN1
SCHEMBL8556108 0.86 RXRA (0.41) RXRARXRBNR4A2NPC1RAB9A
SCHEMBL8558684 0.85 RXRA (0.46) RXRARXRBRXRGNR4A2NPC1
SCHEMBL8556756 0.85 NPC1 (0.39) RXRARXRBRXRGNR4A2NPC1

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
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed