SCHEMBL8556036

SCHEMBL8556036

NS(=O)(=O)c1ccccc1-c1oc(COc2ccc(C(=O)O)cc2)nc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 8/20 0.43
PPARD Q03181 4/20 0.42
NR1H4 Q96RI1 2/20 0.42
RXRA P19793 5/20 0.41
RXRB P28702 4/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
NR4A1 P22736 3/20 0.41
NR4A3 Q92570 3/20 0.41
POLB P06746 1/20 0.40
RXRG P48443 2/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL8554236 0.92 PPARD (0.42) NR4A2PPARDNR1H4RXRARXRB
SCHEMBL8553646 0.91 CA12 (0.44) NR4A2PPARDRXRARXRBCA12
SCHEMBL8553922 0.89 NR4A2 (0.45) NR4A2PPARDRXRARXRBGPBAR1
SCHEMBL8558002 0.88 CA12 (0.43) NR4A2PPARDRXRARXRBCA12
SCHEMBL8557269 0.88 NR4A2 (0.44) NR4A2PPARDRXRARXRBCA12
SCHEMBL7505354 0.85 CA12 (0.52) NR4A2PPARDRXRARXRBCA12
SCHEMBL7510837 0.85 CA12 (0.52) NR4A2PPARDRXRARXRBCA12
SCHEMBL8558894 0.84 RXRA (0.46) NR4A2PPARDRXRARXRBNR4A1
SCHEMBL8560970 0.84 PTGS1 (0.43) NR4A2PPARDRXRACA12CA1
SCHEMBL8561919 0.82 NR4A2 (0.41) NR4A2PPARDRXRARXRBCA12

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