SCHEMBL8557451

SCHEMBL8557451

NS(=O)(=O)c1ccccc1-c1oc(CCC(=O)O)nc1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.67
RXRB P28702 18/20 0.67
NR4A2 P43354 7/20 0.67
RXRG P48443 12/20 0.67
KDM4E B2RXH2 1/20 0.67
ABCC4 O15439 1/20 0.67
C5 P01031 1/20 0.67
LMNA P02545 1/20 0.67
CHRM2 P08172 1/20 0.67
CYP3A4 P08684 1/20 0.67
CHRM1 P11229 1/20 0.67
DRD2 P14416 1/20 0.67
HPGD P15428 1/20 0.67
TSHR P16473 1/20 0.67
TBXA2R P21731 1/20 0.67
NR4A1 P22736 1/20 0.67
PTGS1 P23219 1/20 0.67
HTR2A P28223 1/20 0.67
HTR2C P28335 1/20 0.67
MAPK1 P28482 1/20 0.67

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
SCHEMBL8551829 0.93 RXRA (0.68) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL8552927 0.92 RXRA (0.58) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL8556748 0.91 RXRA (0.67) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL9098566 0.89 RXRA (0.54) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL8550567 0.88 NR4A2 (0.51) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL8557634 0.88 NR4A2 (0.66) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL8558227 0.88 RXRA (0.58) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL8546168 0.88 RXRA (0.70) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL6308842 0.87 NR4A2 (0.60) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL8556331 0.86 KDM4E (0.56) RXRARXRBNR4A2RXRGKDM4E

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