SCHEMBL6173670

SCHEMBL6173670

CC(C(=O)O)c1c(C(=O)c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.44
PTGS1 P23219 2/20 0.44
MEN1 O00255 1/20 0.44
ABCC4 O15439 1/20 0.44
C5 P01031 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE4D Q08499 1/20 0.44
MAP2 P11137 3/20 0.40
EIF4A3 P38919 1/20 0.36
KDM4E B2RXH2 1/20 0.35
APP P05067 1/20 0.35
GPR35 Q9HC97 1/20 0.35

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
SCHEMBL6169876 0.86 PTGS2 (0.46) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6171537 0.85 PTGS2 (0.53) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6173983 0.84 PTGS2 (0.47) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6171246 0.82 PTGS2 (0.47) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6171312 0.82 PTGS2 (0.47) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6171993 0.81 PTGS2 (0.52) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6172333 0.81 MEN1 (0.44) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6171863 0.80 PTGS2 (0.50) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6172076 0.80 PTGS2 (0.50) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6168997 0.80 PTGS2 (0.52) PTGS2PTGS1MEN1ABCC4C5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP claimed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US claimed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed