SCHEMBL27722500

SCHEMBL27722500

CC(=O)OC(C)c1c(C)c(Sc2ccc(S(C)(=O)=O)cc2)c2cc(Cl)ccn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.39
AKR1B1 P15121 2/20 0.37
CYP2C9 P11712 1/20 0.37
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
FAAH O00519 2/20 0.33
KCNH2 Q12809 2/20 0.33
PDE4B Q07343 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPARG P37231 1/20 0.32
KMT2A Q03164 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31

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
SCHEMBL27743074 0.86 PTGDR2 (0.40) PTGDR2CYP2C9PTGS1PTGS2TBXA2R
SCHEMBL27743111 0.86 PTGDR2 (0.35) PTGDR2AKR1B1CYP2C9PTGS1PTGS2
SCHEMBL27743125 0.85 PTGDR2 (0.36) PTGDR2AKR1B1CYP2C9PTGS1PTGS2
SCHEMBL27722499 0.78 PTGDR2 (0.43) PTGDR2AKR1B1CYP2C9PTGS2FAAH
SCHEMBL4635553 0.76 PTGDR2 (0.48) PTGDR2AKR1B1CYP2C9FAAHKCNH2
SCHEMBL4636153 0.75 L3MBTL1 (0.41) PTGDR2AKR1B1CYP2C9PTGS2ALDH1A1
SCHEMBL2771707 0.69 PTGDR2 (0.36) PTGDR2AKR1B1CYP2C9PTGS1PTGS2
SCHEMBL27714354 0.69 PTGS2 (0.33) PTGDR2AKR1B1CYP2C9PTGS1PTGS2
SCHEMBL2769315 0.69 PTGDR2 (0.37) PTGDR2AKR1B1CYP2C9PTGS1PTGS2
SCHEMBL2768893 0.68 PTGDR2 (0.50) PTGDR2AKR1B1CYP2C9PTGDR

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
CN-101305001-A Indolizine derivatives as ligands of the CRTH2 receptor ARGENTA DISCOVERY LTD (GB) 2008-11-12 CN disclosed