SCHEMBL8560570

SCHEMBL8560570

COC(=O)CCCc1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccccc2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.53
RXRB P28702 11/20 0.53
NR4A2 P43354 10/20 0.53
RXRG P48443 5/20 0.53
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
PTGS1 P23219 2/20 0.46
EPHX2 P34913 2/20 0.46
PTGS2 P35354 2/20 0.46
NR4A1 P22736 2/20 0.46
NR4A3 Q92570 2/20 0.46
ABCC4 O15439 1/20 0.46
C5 P01031 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD2 P14416 1/20 0.46
TSHR P16473 1/20 0.46
TBXA2R P21731 1/20 0.46

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
SCHEMBL8560771 0.94 RXRA (0.55) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL8546148 0.92 RXRA (0.53) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL8555806 0.90 RXRA (0.52) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL8559309 0.89 RXRA (0.68) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL6307370 0.88 PTGS1 (0.54) RXRARXRBNR4A2RXRGPTGS1
SCHEMBL8555951 0.88 NR4A2 (0.49) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL8558227 0.86 RXRA (0.58) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL6310250 0.85 NR4A2 (0.52) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL7507422 0.85 RXRA (0.60) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL7508237 0.85 RXRA (0.60) 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