SCHEMBL8546111

SCHEMBL8546111

COC(=O)C(C)CCc1nc(-c2ccccc2)c(-c2ccccc2S(N)(=O)=O)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.49
NR4A2 P43354 14/20 0.47
RXRB P28702 8/20 0.47
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
NR4A1 P22736 3/20 0.43
NR4A3 Q92570 3/20 0.43
RXRG P48443 3/20 0.42
ABCC4 O15439 1/20 0.42
C5 P01031 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
TSHR P16473 1/20 0.42
TBXA2R P21731 1/20 0.42

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
SCHEMBL8558227 0.84 RXRA (0.58) RXRANR4A2RXRBKDM4EHPGD
SCHEMBL8546148 0.82 RXRA (0.53) RXRANR4A2RXRBKDM4EHPGD
SCHEMBL8561179 0.82 NR4A2 (0.51) RXRANR4A2RXRBKDM4EHPGD
SCHEMBL8556331 0.80 KDM4E (0.56) RXRANR4A2RXRBKDM4EHPGD
SCHEMBL8557451 0.80 RXRA (0.67) RXRANR4A2RXRBKDM4EHPGD
SCHEMBL8550567 0.80 NR4A2 (0.51) RXRANR4A2RXRBKDM4EHPGD
SCHEMBL8560798 0.80 NR4A2 (0.51) RXRANR4A2RXRBKDM4EHPGD
SCHEMBL8546881 0.79 NR4A2 (0.52) RXRANR4A2RXRBKDM4EHPGD
SCHEMBL8560614 0.79 RXRA (0.52) RXRANR4A2RXRBKDM4EHPGD
SCHEMBL8551829 0.79 RXRA (0.68) RXRANR4A2RXRBKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP claimed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO claimed
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed