SCHEMBL8551444

SCHEMBL8551444

C[S+]([O-])c1ccc(-c2oc(C3CCCCC3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.39
PTGS1 P23219 3/20 0.39
MAPK14 Q16539 4/20 0.38
MAPK11 Q15759 3/20 0.37
MAPK9 P45984 3/20 0.37
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 0.37
RAF1 P04049 2/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
EGFR P00533 2/20 0.36
GCGR P47871 1/20 0.36
ERBB2 P04626 1/20 0.35
KDR P35968 1/20 0.35
MAPK8 P45983 1/20 0.35
ADCY1 Q08828 1/20 0.34

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
SCHEMBL7500519 0.81 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7503181 0.79 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL6695860 0.73 MAPK14 (0.52) PTGS2PTGS1MAPK14MAPK11MAPK13
SCHEMBL1387188 0.73 MAPK14 (0.65) PTGS2PTGS1MAPK14MAPK11MAPK9
SCHEMBL16993493 0.73 MAPK14 (0.65) PTGS2PTGS1MAPK14MAPK11MAPK9
SCHEMBL7503500 0.73 MAPK14 (0.52) PTGS2PTGS1MAPK14MAPK11MAPK13
SCHEMBL9025437 0.72 PTGS2 (0.45) PTGS2PTGS1MAPK14MAPK11MAPK13
SCHEMBL3089251 0.71 NR4A2 (0.45) MAPK14MAPK11MAPK9MAPK13MAPK12
SCHEMBL8549078 0.71 PTGS2 (0.40) PTGS2PTGS1MAPK14MAPK11MAPK9
SCHEMBL3100353 0.70 MAPK14 (0.44) MAPK14MAPK11MAPK9MAPK13MAPK12

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