SCHEMBL9026334

SCHEMBL9026334

CS(=O)(=O)c1ccc(-c2oc(COc3ccc(C(=O)O)cc3)nc2-c2ccccc2)cc1.CS(=O)(=O)c1ccc(-c2oc(COc3ccc(Cl)cc3)nc2-c2ccccc2)cc1.CS(=O)(=O)c1ccc(-c2oc(COc3ccc(F)cc3)nc2-c2ccccc2)cc1.CS(=O)(=O)c1ccc(-c2oc(COc3ccccc3)nc2-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.47
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
PTGS2 P35354 7/20 0.46
PTGS1 P23219 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BCL2L1 Q07817 2/20 0.41
MCL1 Q07820 2/20 0.41
FAAH O00519 1/20 0.41
KCNH2 Q12809 1/20 0.41
NR4A2 P43354 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
POLB P06746 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
SCHEMBL9026424 0.91 PTGS2 (0.47) PPARDRXRARXRBRXRGPTGS2
SCHEMBL7497356 0.90 PTGS2 (0.54) PPARDRXRARXRBRXRGPTGS2
SCHEMBL7508729 0.90 PTGS2 (0.54) PPARDRXRARXRBRXRGPTGS2
SCHEMBL7505609 0.89 PTGS2 (0.58) PPARDPTGS2PTGS1NR4A2
SCHEMBL7497858 0.89 PTGS2 (0.58) PPARDPTGS2PTGS1NR4A2
SCHEMBL7498789 0.89 PTGS2 (0.56) PPARDRXRARXRBRXRGPTGS2
SCHEMBL7502050 0.89 PTGS2 (0.56) PPARDRXRARXRBRXRGPTGS2
SCHEMBL7505683 0.88 PTGS2 (0.59) PPARDPTGS2PTGS1
SCHEMBL9026427 0.86 PTGS2 (0.43) PPARDRXRAPTGS2PTGS1CYP1A2
SCHEMBL7506460 0.85 PTGS2 (0.62) PPARDPTGS2PTGS1

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