SCHEMBL8809952

SCHEMBL8809952

O=C(O)COc1cccc2c1CCC(Cn1cc(C(c3ccccc3)n3ccnc3)cn1)=C2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.72
TBXAS1 P24557 5/20 0.40
CYP19A1 P11511 3/20 0.39
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
CYP17A1 P05093 2/20 0.36
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
USP2 O75604 1/20 0.36
ABCB11 O95342 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLA2G1B P04054 1/20 0.36
TP53 P04637 1/20 0.36
PGR P06401 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
IDO1 P14902 1/20 0.36
HPGD P15428 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL8811347 0.89 PTGIR (0.56) PTGIRTBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL8410896 0.84 PTGIR (1.00) PTGIRTBXAS1ALDH1A1
SCHEMBL8411186 0.82 PTGIR (0.88) PTGIRTBXAS1
SCHEMBL8412675 0.78 PTGIR (0.73) PTGIRTBXAS1
SCHEMBL8811711 0.78 PTGIR (0.86) PTGIRALDH1A1
SCHEMBL8809040 0.78 PTGIR (0.47) PTGIRTBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL8810733 0.78 PTGIR (0.47) PTGIRTBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL8811350 0.78 PTGIR (0.59) PTGIRTBXAS1ALDH1A1PLA2G1BCYP3A4
SCHEMBL8813299 0.76 PTGIR (0.54) PTGIRTBXAS1
SCHEMBL8808633 0.76 PTGIR (0.54) PTGIRTBXAS1

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 6 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
US-5389666-A Administering for treatment and prevention of thrombosis, arteriosclerosis, ischemic heart diseases, gastric ulcer or hypertension ONO PHARMACEUTICAL CO., LTD. (JP) 1995-02-14 US disclosed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP disclosed