SCHEMBL8546148

SCHEMBL8546148

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.53
RXRB P28702 12/20 0.53
NR4A2 P43354 11/20 0.53
RXRG P48443 6/20 0.53
NR4A1 P22736 3/20 0.47
NR4A3 Q92570 3/20 0.47
KDM4E B2RXH2 2/20 0.46
HPGD P15428 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
PTGS1 P23219 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 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
SCHEMBL8558227 0.94 RXRA (0.58) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL8560570 0.92 RXRA (0.53) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL8560614 0.90 RXRA (0.52) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL8551829 0.89 RXRA (0.68) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL8561179 0.88 NR4A2 (0.51) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL8560771 0.86 RXRA (0.55) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL6308361 0.85 NR4A2 (0.53) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL7508237 0.85 RXRA (0.60) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL7507422 0.85 RXRA (0.60) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL8557451 0.84 RXRA (0.67) RXRARXRBNR4A2RXRGNR4A1

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 5 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
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed