SCHEMBL28943751

SCHEMBL28943751

CC(=O)OCc1c(C)c(Sc2ccc(S(C)(=O)=O)cc2)n2ccc(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.38
PTGS2 P35354 3/20 0.36
CYP2C9 P11712 2/20 0.35
AKR1B1 P15121 2/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK8 P45983 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
FAAH O00519 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
SCHEMBL2768893 0.85 PTGDR2 (0.50) PTGDR2CYP2C9AKR1B1
SCHEMBL2769558 0.84 PTGDR2 (0.40) PTGDR2PTGS2CYP2C9AKR1B1MEN1
SCHEMBL27734984 0.79 PTGDR2 (0.55) PTGDR2PTGS2CYP2C9AKR1B1MEN1
SCHEMBL2769315 0.79 PTGDR2 (0.37) PTGDR2PTGS2CYP2C9AKR1B1MEN1
SCHEMBL2771707 0.78 PTGDR2 (0.36) PTGDR2PTGS2CYP2C9AKR1B1MEN1
SCHEMBL27734897 0.77 MEN1 (0.42) PTGDR2CYP2C9AKR1B1MEN1KMT2A
SCHEMBL27722499 0.77 PTGDR2 (0.43) PTGDR2PTGS2CYP2C9AKR1B1MEN1
SCHEMBL27714352 0.77 PTGDR2 (0.35) PTGDR2PTGS2CYP2C9AKR1B1MEN1
SCHEMBL27714373 0.73 PTGDR2 (0.38) PTGDR2PTGS2CYP2C9AKR1B1MEN1
SCHEMBL4636153 0.72 L3MBTL1 (0.41) PTGDR2PTGS2CYP2C9AKR1B1KMT2A

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-101243086-A Indolizine derivatives and their use as CRTH2 antagonists ARGENTA DISCOVERY LTD (GB) 2008-08-13 CN disclosed