SCHEMBL9047804

SCHEMBL9047804

O=C(O)C(=O)c1cccc2c1CCCC2CCC(=O)N(c1ccccc1)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 3/20 0.42
TBXAS1 P24557 1/20 0.42
KDM4C Q9H3R0 16/20 0.40
KDM6B O15054 3/20 0.36
KDM5B Q9UGL1 3/20 0.36
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
KDM5A P29375 2/20 0.36

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
SCHEMBL9048482 0.91 PTGIR (0.48) PTGIRKDM4C
SCHEMBL9427485 0.85 PTGIR (0.45) PTGIR
SCHEMBL9050245 0.85 PTGIR (0.60) PTGIRTBXAS1KDM4CKDM6BKDM5B
SCHEMBL9046069 0.84 KDM4C (0.41) PTGIRTBXAS1KDM4CKDM6BKDM5B
SCHEMBL9048498 0.84 TBXAS1 (0.41) PTGIRTBXAS1KDM4CKDM6BKDM5B
SCHEMBL9048041 0.83 PTGIR (0.47) PTGIRKDM4C
SCHEMBL9048752 0.83 PTGIR (0.42) PTGIRKDM4C
SCHEMBL9047812 0.83 PTGIR (0.65) PTGIRTBXAS1KDM4C
SCHEMBL9050059 0.81 TBXAS1 (0.38) PTGIRTBXAS1KDM4CKDM6BKDM5B
SCHEMBL9045219 0.80 TBXAS1 (0.42) PTGIRTBXAS1KDM4CKDM6BKDM5B

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