SCHEMBL9048873

SCHEMBL9048873

CN(CC1CCc2c(cccc2OC(=O)CO)C1)C(=S)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 18/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
TBXAS1 P24557 1/20 0.37
PTGDR Q13258 1/20 0.37

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
SCHEMBL9046372 0.91 PTGIR (0.45) PTGIRCA1CA2ACHETBXAS1
SCHEMBL8858458 0.88 PTGIR (0.58) PTGIRTBXAS1PTGDR
SCHEMBL9048138 0.84 PTGIR (0.52) PTGIRTBXAS1
SCHEMBL9048870 0.83 ALDH1A1 (0.40) PTGIR
SCHEMBL9049235 0.81 PTGIR (0.44) PTGIRCA1CA2ACHETBXAS1
SCHEMBL8858396 0.79 PTGIR (0.61) PTGIRTBXAS1PTGDR
SCHEMBL9047459 0.79 PTGIR (0.44) PTGIRCA1CA2ACHEPTGDR
SCHEMBL8858398 0.78 PTGIR (0.59) PTGIRTBXAS1
SCHEMBL9045875 0.78 LMNA (0.47) PTGIRCA1CA2ACHE
SCHEMBL9045695 0.76 MTNR1A (0.44) PTGIRCA1CA2ACHE

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 4 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
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