SCHEMBL4565310

SCHEMBL4565310

Cc1ccc(CCOc2ccc(Cl)cc2C(=O)N[C@@H](C)c2ccc(C(=O)O)c(C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 11/20 0.50
PTGER2 P43116 4/20 0.50
ALDH1A1 P00352 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
DNMT3A Q9Y6K1 1/20 0.40
PTGER1 P34995 2/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
PTGDR Q13258 1/20 0.39
KCNA5 P22460 1/20 0.39
KCNH2 Q12809 1/20 0.39
KCNB1 Q14721 1/20 0.39

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
SCHEMBL692213 0.91 PTGER4 (0.61) PTGER4PTGER2ALDH1A1TAS1R3TAS1R1
SCHEMBL4014465 0.86 TAS1R3 (0.51) PTGER4PTGER2ALDH1A1TAS1R3TAS1R1
SCHEMBL692571 0.83 PTGER4 (0.72) PTGER4PTGER2ALDH1A1PTGDR
SCHEMBL4017992 0.79 PTGER4 (0.60) PTGER4PTGER2ALDH1A1
SCHEMBL691859 0.78 PTGER4 (0.60) PTGER4PTGER2PTGER1PTGDR
SCHEMBL5502156 0.77 CA1 (0.50) PTGER4PTGER2ALDH1A1PTGDRKCNH2
SCHEMBL691725 0.75 PTGER4 (0.65) PTGER4PTGER2ALDH1A1PTGDR
SCHEMBL27667223 0.75 PTGER4 (0.65) PTGER4PTGER2ALDH1A1PTGDR
SCHEMBL2492541 0.75 PTGER4 (0.65) PTGER4PTGER2PTGER1PTGDR
SCHEMBL692039 0.75 PTGER4 (0.65) PTGER4PTGER2PTGER1PTGDR

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-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 WO disclosed