SCHEMBL8558000

SCHEMBL8558000

Cc1cc(C)cc(-c2oc(Cc3ccccc3)nc2-c2ccccc2S(N)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.47
RXRB P28702 9/20 0.47
RXRG P48443 5/20 0.47
NR4A2 P43354 3/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 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
SCN9A Q15858 1/20 0.34
ELANE P08246 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
SCHEMBL8560137 0.92 RXRA (0.49) RXRARXRBRXRGNR4A2NPC1
SCHEMBL8560360 0.91 RXRA (0.44) RXRARXRBRXRGNR4A2NPC1
SCHEMBL8560576 0.90 RXRA (0.46) RXRARXRBRXRGNR4A2NPC1
SCHEMBL8557473 0.89 NR4A2 (0.44) RXRARXRBRXRGNR4A2MEN1
SCHEMBL8558256 0.87 MAOB (0.41) RXRARXRBRXRGNR4A2NPC1
SCHEMBL8555554 0.87 RXRA (0.47) RXRARXRBRXRGNR4A2MEN1
SCHEMBL8556041 0.87 RXRA (0.47) RXRARXRBRXRGNR4A2ALDH1A1
SCHEMBL8561649 0.86 RXRA (0.41) RXRARXRBRXRGNPC1RAB9A
SCHEMBL8555763 0.85 RXRA (0.46) RXRARXRBRXRGNR4A2NPC1
SCHEMBL8555050 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