SCHEMBL8813423

SCHEMBL8813423

CC(=O)OOc1cccc2c1CCC(Cc1nc(C(c3ccccc3)c3ccccc3)co1)C2

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 16/20 0.47
TBXAS1 P24557 2/20 0.40
CYP19A1 P11511 1/20 0.39
MTNR1A P48039 1/20 0.36
MTNR1B P49286 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
SCHEMBL8412761 0.91 PTGIR (0.48) PTGIRTBXAS1CYP19A1MTNR1AMTNR1B
SCHEMBL8412742 0.87 PTGIR (0.47) PTGIRTBXAS1CYP19A1
SCHEMBL8412758 0.86 PTGIR (0.63) PTGIRTBXAS1
SCHEMBL8412740 0.85 PTGIR (0.53) PTGIRTBXAS1
SCHEMBL8810803 0.84 PTGIR (0.44) PTGIRTBXAS1CYP19A1MTNR1AMTNR1B
SCHEMBL8410751 0.81 CYP19A1 (0.50) PTGIRCYP19A1
SCHEMBL8810192 0.80 PTGIR (0.43) PTGIRTBXAS1CYP19A1
SCHEMBL8812663 0.80 PTGIR (0.44) PTGIRTBXAS1CYP19A1MTNR1AMTNR1B
SCHEMBL8808641 0.76 PTGIR (0.75) PTGIRTBXAS1
SCHEMBL8410707 0.76 PTGIR (0.45) PTGIRTBXAS1CYP19A1

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