SCHEMBL8558559

SCHEMBL8558559

NS(=O)(=O)c1ccccc1-c1nc(COc2cccc(C(=O)O)c2)oc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.45
PPARD Q03181 3/20 0.44
F10 P00742 10/20 0.43
PRSS1 P07477 3/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
VDR P11473 1/20 0.43
FABP4 P15090 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
PLG P00747 1/20 0.42
PROC P04070 1/20 0.42
KLK1 P06870 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL8553922 0.93 NR4A2 (0.45) NR4A2PPARDF10PRSS1GPBAR1
SCHEMBL8554236 0.89 PPARD (0.42) NR4A2PPARDGPBAR1
SCHEMBL8561919 0.88 NR4A2 (0.41) NR4A2PPARDFABP4NPC1RAB9A
SCHEMBL8559035 0.87 GRM5 (0.41) NR4A2PPARDF10FABP4
SCHEMBL8555922 0.87 TDP1 (0.46) NR4A2PPARDFABP4RAB9A
SCHEMBL7507072 0.86 PPARD (0.49) NR4A2PPARDGPBAR1CYSLTR1VDR
SCHEMBL7505758 0.86 PPARD (0.49) NR4A2PPARDGPBAR1CYSLTR1VDR
SCHEMBL8556036 0.82 NR4A2 (0.43) NR4A2PPARDGPBAR1
SCHEMBL8555570 0.82 POLB (0.43) NR4A2PPARDVDRFABP4NPC1
SCHEMBL8555127 0.81 NPC1 (0.41) NR4A2PPARDNPC1RAB9A

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