SCHEMBL8552200

SCHEMBL8552200

COC(=O)CCCc1nc(-c2ccc(SC)cc2)c(-c2ccc(Cl)c(Cl)c2)o1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.57
EPHX2 P34913 1/20 0.57
PTGS2 P35354 1/20 0.57
RXRA P19793 15/20 0.56
RXRB P28702 15/20 0.56
RXRG P48443 10/20 0.56
NR4A2 P43354 4/20 0.44
PPARD Q03181 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8545495 0.85 PTGS2 (0.56) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL8552205 0.85 PTGS1 (0.56) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL6307366 0.85 PTGS1 (0.55) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL8545498 0.79 PTGS1 (0.56) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL6307370 0.78 PTGS1 (0.54) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL6314158 0.77 PTGS1 (0.91) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL8547260 0.74 PTGS1 (0.70) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL21805996 0.73 PTGS1 (1.00) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL9452907 0.72 RXRA (0.73) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL25942924 0.72 RXRA (0.73) PTGS1EPHX2PTGS2RXRARXRB

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 2 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 disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed