SCHEMBL8811047

SCHEMBL8811047

CC(=O)Oc1cccc2c1CCC2CCO

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
PTGIR P43119 1/20 0.41
BCHE P06276 2/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL8808959 0.93 PTGIR (0.47) PTGIRSIGMAR1
SCHEMBL8414338 0.87 ACHE (0.46) ACHEMTNR1AMTNR1BMAOAMAOB
SCHEMBL8811042 0.87 MTNR1A (0.42) ACHEMTNR1AMTNR1BPTGIRSIGMAR1
SCHEMBL9050358 0.86 PTGIR (0.43) ACHEMAOAMAOBPTGIR
SCHEMBL8808628 0.86 PTGIR (0.50) PTGIRSIGMAR1
SCHEMBL9050353 0.84 ACHE (0.43) ACHEMAOAMAOBPTGIRBCHE
SCHEMBL8809395 0.83 PTGIR (0.48) PTGIRSIGMAR1
SCHEMBL8808958 0.81 PTGIR (0.46) PTGIRSIGMAR1
SCHEMBL8411211 0.81 PTGIR (0.47) PTGIRSIGMAR1
SCHEMBL8811210 0.80 PTGIR (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP disclosed
US-5589496-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor agonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1996-12-31 US disclosed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP disclosed