SCHEMBL9049522

SCHEMBL9049522

O=CC(C1CCc2c(cccc2OC(=O)CO)C1)N(c1ccccc1)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.41
PTGIR P43119 17/20 0.38
PTGDR Q13258 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL9427288 0.86 TBXAS1 (0.40) TBXAS1PTGIRPTGDRCA1CA2
SCHEMBL9049911 0.80 PTGIR (0.39) PTGIRCA1CA2ACHE
SCHEMBL9427494 0.79 DRD2 (0.40) PTGIRCA1CA2ACHE
SCHEMBL9050151 0.78 PTGIR (0.39) TBXAS1PTGIRCA1CA2ACHE
SCHEMBL9048009 0.77 TBXAS1 (0.44) TBXAS1PTGIRPTGDR
SCHEMBL9427442 0.77 PTGIR (0.41) PTGIRCA1CA2ACHE
SCHEMBL9047809 0.75 TBXAS1 (0.43) TBXAS1PTGIR
SCHEMBL9049164 0.75 MTNR1A (0.41) PTGIRCA1CA2ACHE
SCHEMBL9568065 0.74 KCNA5 (0.30)
SCHEMBL9047207 0.74 TBXAS1 (0.52) TBXAS1PTGIRPTGDR

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 claimed
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed