SCHEMBL8554236

SCHEMBL8554236

NS(=O)(=O)c1ccccc1-c1nc(COc2ccc(C(=O)O)cc2)oc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.42
NR4A2 P43354 7/20 0.41
RXRA P19793 3/20 0.41
RXRB P28702 3/20 0.41
RXRG P48443 2/20 0.41
NR4A1 P22736 3/20 0.41
NR4A3 Q92570 3/20 0.41
NR1H4 Q96RI1 2/20 0.40
POLB P06746 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ABCC4 O15439 1/20 0.39
C5 P01031 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL8556036 0.92 NR4A2 (0.43) PPARDNR4A2RXRARXRBRXRG
SCHEMBL8561919 0.91 NR4A2 (0.41) PPARDNR4A2RXRARXRBRXRG
SCHEMBL8558559 0.89 NR4A2 (0.45) PPARDNR4A2GPBAR1
SCHEMBL8557612 0.88 RXRA (0.43) PPARDNR4A2RXRARXRBRXRG
SCHEMBL8555127 0.88 NPC1 (0.41) PPARDNR4A2RXRARXRBRXRG
SCHEMBL7505354 0.85 CA12 (0.52) PPARDNR4A2RXRARXRBRXRG
SCHEMBL7510837 0.85 CA12 (0.52) PPARDNR4A2RXRARXRBRXRG
SCHEMBL8555570 0.84 POLB (0.43) PPARDNR4A2RXRARXRBRXRG
SCHEMBL8553646 0.82 CA12 (0.44) PPARDNR4A2RXRARXRBRXRG
SCHEMBL8553922 0.82 NR4A2 (0.45) PPARDNR4A2RXRARXRBGPBAR1

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