SCHEMBL8414449

SCHEMBL8414449

O=C(O)COc1cccc2c1CCC(CCn1cnc(Cc3ccccc3)c1)=C2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.51
TBXAS1 P24557 2/20 0.34
S1PR5 Q9H228 3/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLA2G2A P14555 2/20 0.33
PTGDR Q13258 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
SCHEMBL8414452 0.80 PTGIR (0.60) PTGIRTBXAS1PTGDR2ALDH1A1PTGDR
SCHEMBL8410702 0.75 PTGIR (0.60) PTGIRTBXAS1PTGDR2
SCHEMBL8413331 0.72 PTGIR (0.39) PTGIRPTGDR2PTGDR
SCHEMBL8809708 0.72 PTGIR (0.39) PTGIRPTGDR2PTGDR
SCHEMBL8411290 0.72 PTGIR (0.56) PTGIRPTGDR2KDM4EALDH1A1HPGD
SCHEMBL8411284 0.72 PTGIR (0.50) PTGIRPTGDR2KDM4EALDH1A1HPGD
SCHEMBL8411445 0.70 PTGIR (0.58) PTGIRPTGDR2
SCHEMBL8811745 0.70 PTGIR (0.44) PTGIRTBXAS1PTGDR2
SCHEMBL8809752 0.70 PTGIR (0.44) PTGIRTBXAS1PTGDR2
SCHEMBL8414276 0.69 PTGIR (0.49) PTGIRPTGDR2KDM4EALDH1A1HPGD

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