SCHEMBL9048486

SCHEMBL9048486

O=C(CO)Oc1cccc2c1CCCC2CCC(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.55
SIGMAR1 Q99720 4/20 0.40
TBXAS1 P24557 1/20 0.40
KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL9053439 0.87 PTGIR (0.54) PTGIRSIGMAR1TBXAS1
SCHEMBL9048016 0.86 PTGIR (0.48) PTGIRSIGMAR1TBXAS1KDM4C
SCHEMBL9427260 0.85 PTGIR (0.76) PTGIRSIGMAR1TBXAS1KDM4C
SCHEMBL8858400 0.84 PTGIR (0.75) PTGIRSIGMAR1TBXAS1
SCHEMBL9050869 0.81 PTGIR (0.53) PTGIRSIGMAR1
SCHEMBL9427497 0.81 PTGIR (0.48) PTGIRSIGMAR1TBXAS1KDM4C
SCHEMBL9427122 0.81 PTGIR (0.47) PTGIRSIGMAR1TBXAS1KDM4C
SCHEMBL9048210 0.80 PTGIR (0.53) PTGIRSIGMAR1TBXAS1KDM4C
SCHEMBL9050860 0.80 PTGIR (0.45) PTGIRSIGMAR1KDM4C
SCHEMBL9048482 0.79 PTGIR (0.48) PTGIRSIGMAR1KDM4C

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