SCHEMBL9049801

SCHEMBL9049801

CCN(C(C=O)CC1CCCc2c(OC(=O)CO)cccc21)C(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.42
ACHE P22303 1/20 0.37
SIGMAR1 Q99720 4/20 0.36
KDM4C Q9H3R0 2/20 0.35
BCHE P06276 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 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
SCHEMBL9050715 0.84 PTGIR (0.41) PTGIRACHESIGMAR1KDM4CBCHE
SCHEMBL9427497 0.80 PTGIR (0.48) PTGIRSIGMAR1KDM4C
SCHEMBL9048464 0.79 PTGIR (0.42) PTGIRACHESIGMAR1KDM4C
SCHEMBL9047809 0.78 TBXAS1 (0.43) PTGIRKDM4C
SCHEMBL9427081 0.76 PTGIR (0.43) PTGIRSIGMAR1KDM4C
SCHEMBL9050860 0.75 PTGIR (0.45) PTGIRACHESIGMAR1KDM4C
SCHEMBL9050616 0.74 PTGIR (0.46) PTGIRSIGMAR1KDM4C
SCHEMBL9050869 0.74 PTGIR (0.53) PTGIRSIGMAR1
SCHEMBL9050151 0.74 PTGIR (0.39) PTGIRACHE
SCHEMBL9048583 0.74 PTGIR (0.45) 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 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