SCHEMBL9048016

SCHEMBL9048016

O=C(CO)Oc1cccc2c1CCCC2CCC(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.48
SIGMAR1 Q99720 3/20 0.45
KDM4C Q9H3R0 1/20 0.40
TBXAS1 P24557 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
SCHEMBL9427328 0.90 SIGMAR1 (0.44) PTGIRSIGMAR1KDM4C
SCHEMBL9048486 0.86 PTGIR (0.55) PTGIRSIGMAR1KDM4CTBXAS1
SCHEMBL9048020 0.85 PTGIR (0.67) PTGIRSIGMAR1KDM4CTBXAS1
SCHEMBL9427081 0.82 PTGIR (0.43) PTGIRSIGMAR1KDM4CTBXAS1
SCHEMBL9047483 0.82 ACHE (0.40) PTGIRSIGMAR1
SCHEMBL9050869 0.80 PTGIR (0.53) PTGIRSIGMAR1
SCHEMBL9048014 0.80 PTGIR (0.43) PTGIRSIGMAR1KDM4C
SCHEMBL9427260 0.80 PTGIR (0.76) PTGIRSIGMAR1KDM4CTBXAS1
SCHEMBL9047049 0.80 PTGIR (0.62) PTGIRSIGMAR1TBXAS1
SCHEMBL9048210 0.78 PTGIR (0.53) PTGIRSIGMAR1KDM4CTBXAS1

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