SCHEMBL8414047

SCHEMBL8414047

O=C(O)COc1cccc2c1CCCC2CCc1ncco1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.57
TBXAS1 P24557 1/20 0.55
KDM4C Q9H3R0 3/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
SIGMAR1 Q99720 2/20 0.39
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL9155513 0.81 PTGIR (0.69) PTGIRTBXAS1KDM4CPTGDR2SIGMAR1
SCHEMBL9155480 0.81 PTGIR (0.68) PTGIRTBXAS1KDM4CPTGDR2SIGMAR1
SCHEMBL8410712 0.80 PTGIR (0.57) PTGIRTBXAS1KDM4CPTGDR2SIGMAR1
SCHEMBL8858587 0.80 PTGIR (0.72) PTGIRTBXAS1PTGDR2SIGMAR1HTR1A
SCHEMBL9050868 0.78 PTGIR (0.64) PTGIRTBXAS1KDM4CPTGDR2
SCHEMBL8809328 0.78 PTGIR (0.58) PTGIRTBXAS1
SCHEMBL8574945 0.78 PTGIR (0.61) PTGIRTBXAS1KDM4CPTGDR2
SCHEMBL9017264 0.77 PTGIR (0.63) PTGIRTBXAS1KDM4CPTGDR2
SCHEMBL9151307 0.77 PTGIR (0.63) PTGIRTBXAS1KDM4CPTGDR2SIGMAR1
SCHEMBL8410932 0.76 PTGIR (0.61) PTGIRTBXAS1KDM4CPTGDR2

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
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