SCHEMBL9050286

SCHEMBL9050286

O=C(O)COc1cccc2c1CCCC2CCC(=O)NC(c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 11/20 0.61
TBXAS1 P24557 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.37

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
SCHEMBL9048216 0.91 PTGIR (0.71) PTGIRTBXAS1
SCHEMBL9048575 0.86 PTGIR (0.64) PTGIRTBXAS1
SCHEMBL9045328 0.86 PTGIR (0.64) PTGIRTBXAS1MEN1KMT2A
SCHEMBL9048350 0.86 PTGIR (0.69) PTGIRTBXAS1
SCHEMBL9047528 0.85 PTGIR (0.62) PTGIRTBXAS1ALDH1A1MEN1KMT2A
SCHEMBL9046463 0.84 PTGIR (0.62) PTGIRTBXAS1
SCHEMBL9568025 0.82 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL8858482 0.82 PTGIR (0.61) PTGIRTBXAS1
SCHEMBL9050622 0.82 PTGIR (0.62) PTGIRTBXAS1
SCHEMBL9048590 0.81 PTGIR (0.71) PTGIRTBXAS1

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