SCHEMBL8414345

SCHEMBL8414345

O=C(O)COc1cccc2c1CCC(CSc1nc(C(c3ccccc3)c3ccccc3)c[nH]1)=C2

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 19/20 0.55
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TBXA2R P21731 3/20 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
SCHEMBL8414349 0.88 PTGIR (0.41) PTGIRKDM4E
SCHEMBL8411091 0.77 PTGIR (0.61) PTGIR
SCHEMBL8812035 0.76 PTGIR (0.41) PTGIR
SCHEMBL8811804 0.76 PTGIR (0.41) PTGIR
SCHEMBL8412741 0.75 PTGIR (0.58) PTGIRKDM4EALDH1A1HPGDTDP1
SCHEMBL8414332 0.75 PTGIR (0.59) PTGIRKDM4EALDH1A1HPGDTDP1
SCHEMBL8815165 0.75 PTGIR (0.52) PTGIR
SCHEMBL8815160 0.75 PTGIR (0.52) PTGIR
SCHEMBL8414250 0.73 PTGIR (0.73) PTGIR
SCHEMBL7778750 0.73 PTGIR (0.65) PTGIR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP claimed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP claimed
US-5962439-A CARDIOVASCULAR DISORDER ONO PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5849919-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor anonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP disclosed
US-5589496-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor agonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1996-12-31 US disclosed
US-5389666-A Administering for treatment and prevention of thrombosis, arteriosclerosis, ischemic heart diseases, gastric ulcer or hypertension ONO PHARMACEUTICAL CO., LTD. (JP) 1995-02-14 US disclosed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP disclosed