SCHEMBL8559701

SCHEMBL8559701

Cc1ccc(-c2oc(Cc3ccccc3)nc2-c2ccccc2S(N)(=O)=O)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.39
RXRB P28702 4/20 0.39
RXRG P48443 3/20 0.39
MAOB P27338 2/20 0.39
NR4A2 P43354 3/20 0.39
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
EPHX2 P34913 1/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
GPR174 Q9BXC1 1/20 0.35
ENPP3 O14638 1/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 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
SCHEMBL8560020 0.92 RXRA (0.39) RXRARXRBRXRGMAOBNR4A2
SCHEMBL8559262 0.92 NR4A2 (0.40) RXRARXRBRXRGMAOBNR4A2
SCHEMBL8560006 0.91 RXRA (0.48) RXRARXRBRXRGMAOBNR4A2
SCHEMBL8558256 0.91 MAOB (0.41) RXRARXRBRXRGMAOBNR4A2
SCHEMBL8558565 0.88 PTGS2 (0.44) RXRARXRBRXRGMAOBPTGS1
SCHEMBL8560188 0.88 PTGS2 (0.47) RXRARXRBRXRGNR4A2PTGS1
SCHEMBL8559238 0.86 PTGS2 (0.42) RXRARXRBRXRGMAOBNR4A2
SCHEMBL7500949 0.86 RXRA (0.45) RXRARXRBRXRGNR4A2PTGS1
SCHEMBL8555759 0.86 PTGS2 (0.39) RXRARXRBRXRGMAOBNR4A2
SCHEMBL8560576 0.86 RXRA (0.46) RXRARXRBRXRGNR4A2PTGS2

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