SCHEMBL9045227

SCHEMBL9045227

CC(=O)N(CCC1CCCc2c(OC(=O)CO)cccc21)N(c1ccccc1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.47
KDM4C Q9H3R0 3/20 0.43
PTGIR P43119 8/20 0.42
SIGMAR1 Q99720 3/20 0.35

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
SCHEMBL8858446 0.88 TBXAS1 (0.62) TBXAS1KDM4CPTGIR
SCHEMBL9045219 0.83 TBXAS1 (0.42) TBXAS1KDM4CPTGIR
SCHEMBL9049997 0.78 PTGIR (0.45) TBXAS1KDM4CPTGIRSIGMAR1
SCHEMBL9568066 0.78 TBXAS1 (0.38) TBXAS1KDM4CPTGIR
SCHEMBL9427295 0.78 TBXAS1 (0.43) TBXAS1KDM4CPTGIR
SCHEMBL9047809 0.78 TBXAS1 (0.43) TBXAS1KDM4CPTGIR
SCHEMBL9050249 0.76 TBXAS1 (0.42) TBXAS1KDM4CPTGIR
SCHEMBL9048486 0.74 PTGIR (0.55) TBXAS1KDM4CPTGIRSIGMAR1
SCHEMBL9048665 0.73 TBXAS1 (0.46) TBXAS1KDM4CPTGIRSIGMAR1
SCHEMBL9050869 0.72 PTGIR (0.53) PTGIRSIGMAR1

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
EP-0542203-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP disclosed