SCHEMBL4814231

SCHEMBL4814231

Cc1ccc(-c2cc(-c3ccccc3S(C)(=O)=O)c(Cl)cn2)cn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.45
PTGS1 P23219 4/20 0.45
ABCC4 O15439 1/20 0.45
ABCB11 O95342 1/20 0.45
PDE4D Q08499 1/20 0.45
MAPK14 Q16539 1/20 0.45
ALOX5AP P20292 5/20 0.45
FEN1 P39748 5/20 0.45
HSD11B1 P28845 2/20 0.44
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 1/20 0.39
F10 P00742 1/20 0.38

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
SCHEMBL790510 0.77 PTGS2 (0.51) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL19286143 0.70 ALOX5AP (0.77) ALOX5APFEN1
SCHEMBL10264753 0.69 USP7 (0.50) HSD11B1RAB9ALMNANPSR1KMT2A
SCHEMBL28026386 0.69 RAB9A (0.50) PTGS2PTGS1ALOX5APFEN1HSD11B1
SCHEMBL16113473 0.68 ALOX5AP (0.48) PTGS2PTGS1ALOX5APFEN1HSD11B1
SCHEMBL17973841 0.67 MAPT (0.45) PTGS2ALDH1A1KMT2A
SCHEMBL28066 0.67 PTGS2 (0.48) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL8770064 0.67 ALOX5AP (0.47) PTGS2PTGS1ALOX5APFEN1HSD11B1
SCHEMBL1030260 0.66 ALOX5AP (0.59) ALOX5APFEN1
SCHEMBL6901981 0.66 PTGS2 (0.68) PTGS2PTGS1ALOX5APFEN1HSD11B1

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
WO-2008135829-A2 NANOPARTICLES COMPRISING COX-2 INHIBITORS AND A NON-IONIZABLE POLYMER PFIZER PRODUCTS INC. (GB) 2008-11-13 WO disclosed