SCHEMBL8858542

SCHEMBL8858542

O=C(O)COc1cccc2c1CCC=C2CCC(=O)NC(c1ccccc1)c1cc[nH]c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.58
PTGDR Q13258 1/20 0.51
SIGMAR1 Q99720 2/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL8858403 0.92 PTGIR (0.61) PTGIRPTGDRSIGMAR1TSHRMAPT
SCHEMBL9049336 0.84 PTGIR (0.39) PTGIRPTGDRTSHRMAPTTDP1
SCHEMBL8858416 0.83 PTGIR (0.57) PTGIRPTGDRSIGMAR1MAPTLMNA
SCHEMBL9568057 0.82 ALDH1A1 (0.39) PTGIRSIGMAR1TSHRMAPTTDP1
SCHEMBL8858459 0.81 PTGIR (0.50) PTGIRPTGDRSIGMAR1MAPTUSP2
SCHEMBL9049403 0.79 PTGIR (0.45) PTGIRPTGDRSIGMAR1TSHR
SCHEMBL8858468 0.78 PTGIR (0.40) PTGIRPTGDRTSHRMAPTUSP2
SCHEMBL8858472 0.78 PTGIR (0.40) PTGIRPTGDRTSHRMAPTUSP2
SCHEMBL9014200 0.76 PTGIR (0.55) PTGIRPTGDRSIGMAR1DDB1CRBN
SCHEMBL9049399 0.75 KMT2A (0.41) PTGIRPTGDRTSHRMAPT

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