SCHEMBL8813301

SCHEMBL8813301

CC(=O)Oc1cccc2c1CCC(C=CCn1cc(C(c3ccccc3)n3ccnc3)cn1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 9/20 0.42
CYP19A1 P11511 4/20 0.36
TBXAS1 P24557 3/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33
USP2 O75604 1/20 0.33
ABCB11 O95342 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G1B P04054 1/20 0.33
TP53 P04637 1/20 0.33
CYP17A1 P05093 1/20 0.33
PGR P06401 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL8808633 0.90 PTGIR (0.54) PTGIRTBXAS1
SCHEMBL8813299 0.90 PTGIR (0.54) PTGIRTBXAS1
SCHEMBL8412678 0.86 PTGIR (0.57) PTGIRCYP19A1TBXAS1
SCHEMBL8810714 0.86 CYP19A1 (0.40) PTGIRCYP19A1TBXAS1PDE3BPDE3A
SCHEMBL8810712 0.86 CYP19A1 (0.40) PTGIRCYP19A1TBXAS1PDE3BPDE3A
SCHEMBL8808705 0.84 PTGIR (0.51) PTGIRCYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL8809050 0.78 CYP19A1 (0.38) PTGIRCYP19A1TBXAS1PDE3BPDE3A
SCHEMBL8813793 0.76 PTGIR (0.39) PTGIRTBXAS1
SCHEMBL8811347 0.76 PTGIR (0.56) PTGIRCYP19A1TBXAS1PDE3BPDE3A
SCHEMBL8412675 0.76 PTGIR (0.73) 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 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