SCHEMBL6171552

SCHEMBL6171552

CC(C(=O)O)c1c(C(=O)c2ccc(OC(F)(F)F)cc2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
ABCC4 O15439 1/20 0.44
C5 P01031 1/20 0.44
PTGS1 P23219 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE4D Q08499 1/20 0.44
RHEB Q15382 1/20 0.43
PPARG P37231 7/20 0.42
PPARA Q07869 7/20 0.42
CYP2C9 P11712 2/20 0.42
EGFR P00533 1/20 0.42
CHRM4 P08173 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRA2A P08913 1/20 0.42
ALOX5 P09917 1/20 0.42
ADRB3 P13945 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 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
SCHEMBL6173199 0.92 MAPT (0.47) PTGS2MAPTMEN1ABCC4C5
SCHEMBL6168495 0.88 MAPT (0.45) PTGS2MAPTMEN1ABCC4C5
SCHEMBL6172503 0.87 PTGS2 (0.47) PTGS2MAPTMEN1ABCC4C5
SCHEMBL6171537 0.87 PTGS2 (0.53) PTGS2MAPTMEN1ABCC4C5
SCHEMBL6172994 0.86 PTGS2 (0.46) PTGS2MAPTMEN1ABCC4C5
SCHEMBL7205524 0.85 MDM2 (0.47) PTGS2MAPTMEN1ABCC4C5
SCHEMBL6172076 0.84 PTGS2 (0.50) PTGS2MAPTMEN1ABCC4C5
SCHEMBL6171863 0.84 PTGS2 (0.50) PTGS2MAPTMEN1ABCC4C5
SCHEMBL6168997 0.84 PTGS2 (0.52) PTGS2MAPTMEN1ABCC4C5
SCHEMBL6172663 0.83 HPGD (0.47) PTGS2MAPTMEN1ABCC4C5

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