SCHEMBL8858403

SCHEMBL8858403

O=C(O)COc1cccc2c1CCC=C2CCC(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.61
PTGDR Q13258 1/20 0.58
TSHR P16473 1/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SLC6A9 P48067 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 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
SCHEMBL8858542 0.92 PTGIR (0.58) PTGIRPTGDRTSHRUSP2LMNA
SCHEMBL8858416 0.90 PTGIR (0.57) PTGIRPTGDRLMNAMAPTSIGMAR1
SCHEMBL8858459 0.87 PTGIR (0.50) PTGIRPTGDRUSP2LMNAMAPT
SCHEMBL9049403 0.86 PTGIR (0.45) PTGIRPTGDRTSHRSLC6A9SLC6A5
SCHEMBL9049399 0.81 KMT2A (0.41) PTGIRPTGDRTSHRMAPTSLC6A9
SCHEMBL9014489 0.79 PTGIR (0.58) PTGIRPTGDRSIGMAR1
SCHEMBL9568093 0.78 ALDH1A1 (0.45) TSHRSLC6A9SLC6A5SIGMAR1KMT2A
SCHEMBL9014581 0.77 PTGIR (0.58) PTGIRPTGDRMAPTMAPK1HTT
SCHEMBL9049336 0.74 PTGIR (0.39) PTGIRPTGDRTSHRMAPTSLC6A9
SCHEMBL8414122 0.74 PTGIR (0.63) PTGIRPTGDRSIGMAR1

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 5 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
US-5596009-A TREATMENT OF THROMBOSIS, ATHERIOSCLEROSIS, ANTIISCHEMIC AGENTS, ANTIULCER AGENTS OR HYPOTENSIVE AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1997-01-21 US disclosed
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