SCHEMBL9048564

SCHEMBL9048564

O=CC(=O)Oc1cccc2c1CCC(CO)C2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
PTGIR P43119 17/20 0.45
CYP19A1 P11511 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PTGDR Q13258 2/20 0.40

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
SCHEMBL9050297 0.90 CHRM2 (0.46) CHRM2CHRM1CHRM3PTGIRCYP19A1
SCHEMBL9047872 0.89 CHRM2 (0.47) CHRM2CHRM1CHRM3PTGIRCYP19A1
SCHEMBL9049012 0.88 CHRM2 (0.45) CHRM2CHRM1CHRM3PTGIRCYP19A1
SCHEMBL9045690 0.86 CHRM2 (0.48) CHRM2CHRM1CHRM3PTGIRCYP19A1
SCHEMBL8414288 0.84 MTNR1A (0.48) CHRM2CHRM1CHRM3PTGIRCYP19A1
SCHEMBL9048569 0.84 PTGIR (0.47) CHRM2CHRM1CHRM3PTGIRCYP19A1
SCHEMBL8858425 0.83 MTNR1A (0.43) CHRM2CHRM1CHRM3PTGIRMTNR1A
SCHEMBL7777377 0.78 CYP19A1 (0.64) CHRM2CHRM1CHRM3CYP19A1MTNR1A
SCHEMBL8414260 0.78 PTGIR (0.65) PTGIRPTGDR
SCHEMBL9047450 0.77 PTGIR (0.46) CHRM2CHRM1CHRM3PTGIR

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-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
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP disclosed