SCHEMBL9051691

SCHEMBL9051691

O=C(CCC1CCCc2c(C(=O)C(=O)O)cccc21)NOC(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.46
SIGMAR1 Q99720 4/20 0.37
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL9048910 0.92 PTGIR (0.41) PTGIRKDM4C
SCHEMBL9047720 0.90 PTGIR (0.43) PTGIRSIGMAR1KDM4C
SCHEMBL9048207 0.85 PTGIR (0.46) PTGIRSIGMAR1
SCHEMBL9048971 0.84 PTGIR (0.37) PTGIR
SCHEMBL9051699 0.83 PTGIR (0.69) PTGIR
SCHEMBL9051694 0.83 PTGIR (0.52) PTGIRSIGMAR1KDM4C
SCHEMBL9568047 0.82 TRPV1 (0.44) PTGIRKDM4C
SCHEMBL9046164 0.81 PTGIR (0.37) PTGIR
SCHEMBL9048344 0.79 PTGIR (0.45) PTGIRSIGMAR1
SCHEMBL9427205 0.79 PTGIR (0.69) PTGIRSIGMAR1KDM4C

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 2 patents. 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
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed