SCHEMBL9025930

SCHEMBL9025930

CS(=O)(=O)c1ccc(-c2oc(CCOc3ccc(Cl)cc3)nc2-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.55
RXRB P28702 10/20 0.55
RXRG P48443 8/20 0.55
PTGS2 P35354 5/20 0.54
KDM4E B2RXH2 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
KMT2A Q03164 1/20 0.49
FAAH O00519 1/20 0.48
KCNH2 Q12809 1/20 0.48
NR4A2 P43354 5/20 0.47
PTGS1 P23219 2/20 0.45
NR4A1 P22736 2/20 0.45
NR4A3 Q92570 2/20 0.45
ABCC4 O15439 1/20 0.45
C5 P01031 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL9026118 1.00 RXRA (0.55) RXRARXRBRXRGPTGS2KDM4E
SCHEMBL7502050 0.90 PTGS2 (0.56) RXRARXRBRXRGPTGS2KDM4E
SCHEMBL7498789 0.90 PTGS2 (0.56) RXRARXRBRXRGPTGS2KDM4E
SCHEMBL9026295 0.88 PTGS2 (0.52) RXRARXRBRXRGPTGS2KDM4E
SCHEMBL8549476 0.83 PTGS2 (0.51) RXRARXRBRXRGPTGS2KDM4E
SCHEMBL9026424 0.82 PTGS2 (0.47) RXRARXRBRXRGPTGS2KDM4E
SCHEMBL7506240 0.82 PTGS2 (0.62) RXRARXRBRXRGPTGS2KDM4E
SCHEMBL7510198 0.82 PTGS2 (0.62) RXRARXRBRXRGPTGS2KDM4E
SCHEMBL7497858 0.81 PTGS2 (0.58) PTGS2NR4A2PTGS1
SCHEMBL7505609 0.81 PTGS2 (0.58) PTGS2NR4A2PTGS1

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-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