SCHEMBL9048464

SCHEMBL9048464

O=CC(CC1CCCc2c(OC(=O)CO)cccc21)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.42
SIGMAR1 Q99720 4/20 0.38
KDM4C Q9H3R0 3/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL9050864 0.85 PTGIR (0.37) PTGIRSIGMAR1CA1CA2ACHE
SCHEMBL9427081 0.84 PTGIR (0.43) PTGIRSIGMAR1KDM4C
SCHEMBL9050715 0.83 PTGIR (0.41) PTGIRSIGMAR1KDM4CACHE
SCHEMBL9427497 0.82 PTGIR (0.48) PTGIRSIGMAR1KDM4C
SCHEMBL9427328 0.81 SIGMAR1 (0.44) PTGIRSIGMAR1KDM4CACHE
SCHEMBL9047809 0.81 TBXAS1 (0.43) PTGIRKDM4C
SCHEMBL9049801 0.79 PTGIR (0.42) PTGIRSIGMAR1KDM4CACHE
SCHEMBL9048016 0.77 PTGIR (0.48) PTGIRSIGMAR1KDM4C
SCHEMBL9047483 0.77 ACHE (0.40) PTGIRSIGMAR1CA1CA2ACHE
SCHEMBL9427217 0.76 PTGIR (0.45) PTGIRSIGMAR1KDM4CACHE

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
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP claimed