SCHEMBL9048482

SCHEMBL9048482

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.48
SIGMAR1 Q99720 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTR6 P50406 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
SCHEMBL9427485 0.94 PTGIR (0.45) PTGIRSIGMAR1
SCHEMBL9048041 0.91 PTGIR (0.47) PTGIRSIGMAR1KDM4CPARP1PARP2
SCHEMBL9048752 0.91 PTGIR (0.42) PTGIRSIGMAR1KDM4CPARP1PARP2
SCHEMBL9047804 0.91 PTGIR (0.42) PTGIRKDM4C
SCHEMBL9048458 0.86 PTGIR (0.45) PTGIRSIGMAR1
SCHEMBL9049779 0.86 PTGIR (0.44) PTGIRSIGMAR1KDM4CPARP1PARP2
SCHEMBL9049216 0.85 PTGIR (0.40) PTGIRSIGMAR1
SCHEMBL9048014 0.85 PTGIR (0.43) PTGIRSIGMAR1KDM4C
SCHEMBL9427205 0.84 PTGIR (0.69) PTGIRSIGMAR1KDM4CKDM4E
SCHEMBL9049796 0.81 PTGIR (0.43) 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