SCHEMBL9048748

SCHEMBL9048748

CN(CC1CCc2c(cccc2OC(=O)C=O)C1)NC(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 15/20 0.49
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ACHE P22303 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CYP19A1 P11511 1/20 0.36
TBXAS1 P24557 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
SCHEMBL8858496 0.85 PTGIR (0.66) PTGIRTBXAS1
SCHEMBL9048206 0.83 PTGIR (0.48) PTGIRCA1CA2ACHECHRM2
SCHEMBL9047450 0.81 PTGIR (0.46) PTGIRCA1CA2ACHECHRM2
SCHEMBL9049235 0.80 PTGIR (0.44) PTGIRCA1CA2ACHECHRM2
SCHEMBL9045690 0.77 CHRM2 (0.48) PTGIRCA1CA2ACHECHRM2
SCHEMBL9048033 0.77 PTGIR (0.41) PTGIRCA1CA2ACHE
SCHEMBL9049791 0.76 PTGIR (0.64) PTGIRTBXAS1
SCHEMBL9048564 0.76 CHRM2 (0.48) PTGIRCHRM2CHRM1CHRM3CYP19A1
SCHEMBL9047872 0.75 CHRM2 (0.47) PTGIRCHRM2CHRM1CHRM3CYP19A1
SCHEMBL9567964 0.74 PTGIR (0.37) PTGIRCHRM1CHRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542203-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP disclosed
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed