SCHEMBL8412823

SCHEMBL8412823

O=C(O)C(CCc1coc(C(c2ccccc2)c2cccnc2)n1)Oc1cccc2c1CCC=C2

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CFTR P13569 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GOPC Q9HD26 1/20 0.32
PTGIR P43119 1/20 0.31
C3AR1 Q16581 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8414123 0.81 C3AR1 (0.33) PTGIRC3AR1
SCHEMBL8410755 0.78 TBXAS1 (0.35) HDAC1HDAC8HDAC6CFTRSLC6A2
SCHEMBL8411195 0.78 PTGIR (0.45) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL8414280 0.74
SCHEMBL8412816 0.73 PTGIR (0.53) PTGIR
SCHEMBL8414339 0.73 PPARG (0.34) PTGIR
SCHEMBL8810720 0.72 PTGIR (0.59) PTGIR
SCHEMBL8810723 0.72 PTGIR (0.45) HDAC1HDAC8HDAC6CFTRSLC6A2
SCHEMBL8413617 0.71 HDAC1 (0.38) HDAC1HDAC8HDAC6PTGIRC3AR1
SCHEMBL8410905 0.70 PTGIR (0.49) 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 3 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 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