SCHEMBL9049779

SCHEMBL9049779

O=C(O)C(=O)c1cccc2c1CCCC2CCC(=O)N(c1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.44
KDM4E B2RXH2 1/20 0.33
TBXAS1 P24557 1/20 0.33
KDM4C Q9H3R0 3/20 0.33
SIGMAR1 Q99720 2/20 0.33
LMNA P02545 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 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
SCHEMBL9048498 0.92 TBXAS1 (0.41) PTGIRKDM4ETBXAS1KDM4C
SCHEMBL9048482 0.86 PTGIR (0.48) PTGIRKDM4EKDM4CSIGMAR1PARP1
SCHEMBL9049796 0.85 PTGIR (0.43) PTGIRKDM4CSIGMAR1
SCHEMBL9048041 0.84 PTGIR (0.47) PTGIRKDM4CSIGMAR1PARP1PARP2
SCHEMBL8858439 0.82 PTGIR (0.68) PTGIRTBXAS1
SCHEMBL9048458 0.81 PTGIR (0.45) PTGIRSIGMAR1
SCHEMBL9048014 0.80 PTGIR (0.43) PTGIRKDM4CSIGMAR1
SCHEMBL9427485 0.80 PTGIR (0.45) PTGIRSIGMAR1
SCHEMBL9427205 0.79 PTGIR (0.69) PTGIRKDM4EKDM4CSIGMAR1
SCHEMBL9048207 0.79 PTGIR (0.46) PTGIRKDM4ESIGMAR1LMNA

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