SCHEMBL8557612

SCHEMBL8557612

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.43
RXRB P28702 6/20 0.43
RXRG P48443 5/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPARD Q03181 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
NR4A2 P43354 4/20 0.43
MAPK1 P28482 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 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
SCHEMBL8561919 0.92 NR4A2 (0.41) RXRARXRBRXRGTSHRTDP1
SCHEMBL8557269 0.92 NR4A2 (0.44) RXRARXRBRXRGTSHRTDP1
SCHEMBL8555127 0.90 NPC1 (0.41) RXRARXRBRXRGPPARDNR4A2
SCHEMBL8555922 0.89 TDP1 (0.46) RXRARXRBRXRGTSHRTDP1
SCHEMBL8554236 0.88 PPARD (0.42) RXRARXRBRXRGTSHRPPARD
SCHEMBL8556137 0.85 NR4A2 (0.47) RXRARXRBRXRGTSHRNPSR1
SCHEMBL7499896 0.84 CA12 (0.54) RXRARXRBRXRGTSHRTDP1
SCHEMBL7502753 0.84 CA12 (0.54) RXRARXRBRXRGTSHRTDP1
SCHEMBL8553646 0.84 CA12 (0.44) RXRARXRBRXRGTSHRTDP1
SCHEMBL8559035 0.83 GRM5 (0.41) RXRARXRBRXRGPPARDNR4A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP claimed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO claimed
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed