SCHEMBL9048978

SCHEMBL9048978

O=C(CC1CCc2c(OC(=O)CO)cccc21)NOC(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.41
ACHE P22303 8/20 0.39
BCHE P06276 3/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
CD274 Q9NZQ7 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL9047724 0.94 PTGIR (0.48) PTGIR
SCHEMBL9048983 0.86 PTGIR (0.57) PTGIR
SCHEMBL9051610 0.85 SLC6A4 (0.40) PTGIRACHEMAOAMAOB
SCHEMBL9051694 0.84 PTGIR (0.52) PTGIR
SCHEMBL9048863 0.82 PTGIR (0.51) PTGIRCHRM2CHRM1CHRM3
SCHEMBL9048971 0.81 PTGIR (0.37) PTGIR
SCHEMBL9046170 0.80 PTGIR (0.44) PTGIRACHE
SCHEMBL9047729 0.80 PTGIR (0.66) PTGIR
SCHEMBL9050616 0.80 PTGIR (0.46) PTGIR
SCHEMBL9567993 0.79 PRMT5 (0.49)

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