SCHEMBL9047142

SCHEMBL9047142

O=C(O)COc1cccc2c1CCCC2CC(=O)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 11/20 0.60
TBXAS1 P24557 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.43
SIGMAR1 Q99720 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL9048429 0.90 PTGIR (0.69) PTGIRTBXAS1PTGDR2SIGMAR1LTB4R2
SCHEMBL9427333 0.89 PTGIR (0.58) PTGIRTBXAS1PTGDR2SIGMAR1KDM4C
SCHEMBL9048020 0.81 PTGIR (0.67) PTGIRTBXAS1PTGDR2SIGMAR1KDM4C
SCHEMBL9427087 0.81 PTGIR (0.81) PTGIRTBXAS1PTGDR2SIGMAR1KDM4C
SCHEMBL9047049 0.80 PTGIR (0.62) PTGIRTBXAS1PTGDR2SIGMAR1
SCHEMBL8858400 0.79 PTGIR (0.75) PTGIRTBXAS1PTGDR2SIGMAR1
SCHEMBL9050868 0.77 PTGIR (0.64) PTGIRTBXAS1PTGDR2ALDH1A1KDM4C
SCHEMBL8858404 0.77 PTGIR (0.72) PTGIRTBXAS1PTGDR2
SCHEMBL9048090 0.77 PTGIR (0.69) PTGIRTBXAS1PTGDR2SIGMAR1
SCHEMBL8858393 0.76 PTGIR (0.52) PTGIRTBXAS1PTGDR2

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 claimed