SCHEMBL9026424

SCHEMBL9026424

CS(=O)(=O)c1ccc(-c2oc(CCOc3ccc(F)cc3)nc2-c2ccccc2)cc1.CS(=O)(=O)c1ccc(-c2oc(COc3ccc(C(=O)O)cc3)nc2-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.47
PTGS1 P23219 2/20 0.47
NR4A2 P43354 6/20 0.45
PPARD Q03181 3/20 0.45
RXRA P19793 7/20 0.44
RXRB P28702 7/20 0.44
RXRG P48443 5/20 0.44
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
NR4A1 P22736 2/20 0.42
NR4A3 Q92570 2/20 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
SCHEMBL9026295 0.93 PTGS2 (0.52) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL7497356 0.91 PTGS2 (0.54) PTGS2PTGS1NR4A2PPARDRXRA
SCHEMBL7508729 0.91 PTGS2 (0.54) PTGS2PTGS1NR4A2PPARDRXRA
SCHEMBL9026334 0.91 PPARD (0.47) PTGS2PTGS1NR4A2PPARDRXRA
SCHEMBL7505609 0.89 PTGS2 (0.58) PTGS2PTGS1NR4A2PPARD
SCHEMBL7497858 0.89 PTGS2 (0.58) PTGS2PTGS1NR4A2PPARD
SCHEMBL9026427 0.87 PTGS2 (0.43) PTGS2PTGS1NR4A2PPARDRXRA
SCHEMBL7505683 0.86 PTGS2 (0.59) PTGS2PTGS1PPARD
SCHEMBL7506460 0.85 PTGS2 (0.62) PTGS2PTGS1PPARD
SCHEMBL9037846 0.84 NR4A2 (0.49) PTGS2PTGS1NR4A2RXRARXRB

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