SCHEMBL8812508

SCHEMBL8812508

CC(=O)Oc1cccc2c1CCC=C2CCn1cnc(Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.46
SIGMAR1 Q99720 4/20 0.44
PTGDR Q13258 1/20 0.41
ABCB1 P08183 1/20 0.36
KDM4A O75164 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
PTGS2 P35354 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP19A1 P11511 1/20 0.33
TBXAS1 P24557 1/20 0.33
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LPAR1 Q92633 1/20 0.32
FYN P06241 1/20 0.32

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
SCHEMBL8414452 0.88 PTGIR (0.60) PTGIRSIGMAR1PTGDRABCB1TBXAS1
SCHEMBL8811752 0.78 SIGMAR1 (0.37) SIGMAR1ABCB1PTGS2HTTMEN1
SCHEMBL8810160 0.75 PTGIR (0.47) PTGIRSIGMAR1
SCHEMBL8830043 0.71 SIGMAR1 (0.41) PTGIRSIGMAR1PTGDRPTGS2ADORA3
SCHEMBL8811750 0.70 ACHE (0.35) PTGIRSIGMAR1
SCHEMBL8414449 0.69 PTGIR (0.51) PTGIRPTGDRTBXAS1ALDH1A1
SCHEMBL8808475 0.67 PTGIR (0.47) PTGIRSIGMAR1PTGDRABCB1ADORA3
SCHEMBL8414455 0.67 CPB2 (0.35)
SCHEMBL8809708 0.66 PTGIR (0.39) PTGIRSIGMAR1PTGDRABCB1MEN1
SCHEMBL8413331 0.66 PTGIR (0.39) PTGIRSIGMAR1PTGDRABCB1MEN1

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