SCHEMBL8813610

SCHEMBL8813610

CC(=O)Oc1cccc2c1CCCC2=CCn1cc(C(c2ccccc2)c2cccc(Cl)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.45
ABCB1 P08183 2/20 0.33
KLKB1 P03952 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
HTR1A P08908 1/20 0.32
ABCC1 P33527 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL8809666 0.89 PTGIR (0.59) PTGIR
SCHEMBL8813608 0.89 PTGIR (0.59) PTGIR
SCHEMBL8411295 0.88 PTGIR (0.44) PTGIRABCB1SIGMAR1HTR1A
SCHEMBL8812537 0.85 PTGIR (0.39) PTGIRKLKB1
SCHEMBL8812532 0.85 PTGIR (0.39) PTGIRKLKB1
SCHEMBL8809050 0.80 CYP19A1 (0.38) PTGIRABCB1SIGMAR1HTR1ACNR1
SCHEMBL8812368 0.77 PTGIR (0.67) PTGIRKLKB1
SCHEMBL8810992 0.77 PTGIR (0.57) PTGIRSIGMAR1HTR1A
SCHEMBL8411294 0.77 PTGIR (0.57) PTGIRSIGMAR1HTR1A
SCHEMBL8811344 0.75 PTGIR (0.68) PTGIR

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 5 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 claimed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP claimed
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