SCHEMBL9048489

SCHEMBL9048489

O=CC(=O)Oc1cccc2c1CCCC2/C=C/C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
PTGIR P43119 3/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
BCHE P06276 1/20 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
SCHEMBL9047490 0.86 ACHE (0.40) ACHETAS1R3TAS1R1TAS1R2CA1
SCHEMBL9048492 0.85 PTGIR (0.38) ACHETAS1R3TAS1R1TAS1R2PTGIR
SCHEMBL8858469 0.81 PTGIR (0.54) PTGIR
SCHEMBL8858471 0.81 PTGIR (0.54) PTGIR
SCHEMBL9050857 0.77 PTGIR (0.43) ACHEPTGIR
SCHEMBL9050863 0.74 PTGIR (0.50) PTGIR
SCHEMBL9047496 0.72 TAS1R3 (0.40) ACHETAS1R3TAS1R1TAS1R2PTGIR
SCHEMBL9050353 0.72 ACHE (0.43) ACHEPTGIRMAOAMAOBBCHE
SCHEMBL9047478 0.71 ACHE (0.41) ACHECA1CA2
SCHEMBL9427411 0.71 PTGIR (0.48) ACHETAS1R3TAS1R1TAS1R2PTGIR

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