SCHEMBL9047616

SCHEMBL9047616

O=C(O)C(=O)c1cccc2c1CCC(CC=NNC(=O)N(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 16/20 0.43
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
ACHE P22303 2/20 0.34
CYP19A1 P11511 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
SCHEMBL9426462 0.85 CA1 (0.35) PTGIRCA1CA2ACHE
SCHEMBL9568081 0.84 PTGIR (0.41) PTGIRCYP19A1
SCHEMBL9568085 0.84 PTGIR (0.41) PTGIRCYP19A1
SCHEMBL8858488 0.83 PTGIR (0.66) PTGIR
SCHEMBL8858492 0.83 PTGIR (0.66) PTGIR
SCHEMBL9049789 0.78 PTGIR (0.41) PTGIRCA1CA2ACHE
SCHEMBL9427356 0.73 PTGIR (0.55) PTGIR
SCHEMBL9050993 0.70 PTGIR (0.39) PTGIRCA1CA2ACHE
SCHEMBL8858420 0.70 PTGIR (0.59) PTGIR
SCHEMBL8858423 0.70 PTGIR (0.59) PTGIR

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 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