SCHEMBL8810992

SCHEMBL8810992

O=C(O)COc1cccc2c1CCC/C2=C/Cn1cc(C(c2ccccc2)c2cccnc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 13/20 0.57
TBXAS1 P24557 3/20 0.41
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR1A P08908 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CFTR P13569 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GOPC Q9HD26 1/20 0.34

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
SCHEMBL8411294 1.00 PTGIR (0.57) PTGIRTBXAS1HTTSMN1; SMN2HTR1A
SCHEMBL8411295 0.89 PTGIR (0.44) PTGIRTBXAS1HTR1ASIGMAR1CFTR
SCHEMBL8813608 0.88 PTGIR (0.59) PTGIRSMN1; SMN2
SCHEMBL8809666 0.88 PTGIR (0.59) PTGIRSMN1; SMN2
SCHEMBL8809040 0.83 PTGIR (0.47) PTGIRTBXAS1HTR1ASIGMAR1
SCHEMBL8810733 0.83 PTGIR (0.47) PTGIRTBXAS1HTR1ASIGMAR1
SCHEMBL8411299 0.82 PTGIR (0.41) PTGIRTBXAS1HTTSMN1; SMN2
SCHEMBL8810220 0.79 PTGIR (0.41) PTGIRTBXAS1HTTSMN1; SMN2
SCHEMBL8811692 0.79 PTGIR (0.41) PTGIRTBXAS1HTTSMN1; SMN2
SCHEMBL8520473 0.78 PTGIR (0.89) 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-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP claimed
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