SCHEMBL8410755

SCHEMBL8410755

O=C(O)C(Cc1coc(C(c2ccccc2)c2cccnc2)n1)Oc1cccc2c1CCCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.35
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
RXRA P19793 6/20 0.34
RXRB P28702 6/20 0.34
RXRG P48443 4/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
MCL1 Q07820 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 2/20 0.32
PTGIR P43119 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL8413617 0.94 HDAC1 (0.38) RXRARXRBRXRGHDAC1HDAC8
SCHEMBL8413474 0.82 TBXAS1 (0.33) TBXAS1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL8412792 0.81 HDAC1 (0.32) TBXAS1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL8412823 0.78 HDAC1 (0.32) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL8412765 0.78 RXRA (0.37) RXRARXRBRXRGPPARGPPARA
SCHEMBL8413364 0.78 PTGIR (0.46) TBXAS1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL8411148 0.77 RXRA (0.39) RXRARXRBRXRGPPARGPPARA
SCHEMBL8413481 0.77 PPARG (0.36) RXRARXRBRXRGPPARGPPARA
SCHEMBL8414356 0.76 RXRB (0.38) RXRARXRBRXRGPPARGPPARA
SCHEMBL8411309 0.76 PTGIR (0.43) TBXAS1CFTRSLC6A2SLC6A4SLC6A3

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