SCHEMBL8549476

SCHEMBL8549476

CS(=O)(=O)c1ccc(-c2nc(CCOc3cccc(F)c3)oc2-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.51
PTGS1 P23219 4/20 0.50
RXRA P19793 7/20 0.47
RXRB P28702 7/20 0.47
RXRG P48443 4/20 0.47
NR4A2 P43354 4/20 0.45
KDM4E B2RXH2 1/20 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
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
TBXA2R P21731 1/20 0.42
NR4A1 P22736 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 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
SCHEMBL8551964 0.90 PTGS2 (0.49) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL7505291 0.90 PTGS2 (0.53) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL7500465 0.90 PTGS2 (0.53) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL7502828 0.87 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL9025930 0.83 RXRA (0.55) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL9026118 0.83 RXRA (0.55) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL7505683 0.82 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL9026295 0.82 PTGS2 (0.52) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL9026424 0.81 PTGS2 (0.47) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL7505609 0.81 PTGS2 (0.58) PTGS2PTGS1NR4A2

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 1 patent. 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