SCHEMBL8810192

SCHEMBL8810192

CCc1oc(C(c2ccccc2)c2ccccc2)nc1CC1CCc2c(cccc2OOC(C)=O)C1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 17/20 0.43
TBXAS1 P24557 2/20 0.41
CYP19A1 P11511 1/20 0.38

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
SCHEMBL8413478 0.91 PTGIR (0.44) PTGIRTBXAS1CYP19A1
SCHEMBL8412760 0.88 PTGIR (0.44) PTGIRTBXAS1CYP19A1
SCHEMBL8413476 0.87 PTGIR (0.58) PTGIRTBXAS1
SCHEMBL8412757 0.85 PTGIR (0.49) PTGIRTBXAS1
SCHEMBL8810803 0.84 PTGIR (0.44) PTGIRTBXAS1CYP19A1
SCHEMBL8813423 0.80 PTGIR (0.47) PTGIRTBXAS1CYP19A1
SCHEMBL8812663 0.79 PTGIR (0.44) PTGIRTBXAS1CYP19A1
SCHEMBL8808641 0.75 PTGIR (0.75) PTGIRTBXAS1
SCHEMBL8413614 0.75 PTGIR (0.45) PTGIRTBXAS1CYP19A1
SCHEMBL8414285 0.73 MTNR1A (0.46) PTGIRCYP19A1

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