SCHEMBL4566489

SCHEMBL4566489

COC(COc1ccc(Cl)cc1C(=O)NC(C)c1ccc(C(=O)O)cc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 16/20 0.62
PTGER2 P43116 5/20 0.59
GPR139 Q6DWJ6 1/20 0.48
PTGDR Q13258 1/20 0.47
PTGER1 P34995 2/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4019165 1.00 PTGER4 (0.62) PTGER4PTGER2GPR139PTGDRPTGER1
SCHEMBL4012692 0.93 PTGER4 (0.54) PTGER4PTGER2GPR139PTGER1ALDH1A1
SCHEMBL13770289 0.89 PTGER4 (0.48) PTGER4PTGER2GPR139PTGER1ALDH1A1
SCHEMBL4013897 0.87 PTGER4 (0.67) PTGER4PTGER2PTGDRALDH1A1
SCHEMBL27653418 0.87 PTGER4 (0.67) PTGER4PTGER2PTGDRALDH1A1
SCHEMBL690993 0.84 PTGER4 (0.67) PTGER4PTGER2PTGDRPTGER1
SCHEMBL26914664 0.84 PTGER4 (0.67) PTGER4PTGER2PTGDRPTGER1
SCHEMBL692263 0.83 PTGER4 (0.71) PTGER4PTGER2PTGDR
SCHEMBL691142 0.82 PTGER4 (0.63) PTGER4PTGER2PTGDRPTGER1
SCHEMBL691725 0.81 PTGER4 (0.65) PTGER4PTGER2PTGDRALDH1A1

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