SCHEMBL8413474

SCHEMBL8413474

O=C(O)C(=CCc1coc(C(c2ccccc2)c2cccnc2)n1)Oc1cccc2c1CCCC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.33
MCL1 Q07820 2/20 0.33
RXRA P19793 7/20 0.32
RXRB P28702 6/20 0.32
RXRG P48443 5/20 0.32
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
SLC1A2 P43004 1/20 0.30
MAPT P10636 2/20 0.30
PTGIR P43119 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 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
SCHEMBL8410755 0.82 TBXAS1 (0.35) TBXAS1MCL1RXRARXRBRXRG
SCHEMBL8412763 0.81 RXRA (0.35) MCL1RXRARXRBRXRGPTGIR
SCHEMBL8580253 0.80 ADORA2A (0.32) MCL1RXRARXRBRXRGALDH1A1
SCHEMBL8411183 0.79 RXRA (0.38) MCL1RXRARXRBRXRGPTGIR
SCHEMBL8811695 0.76 TBXAS1 (0.33) TBXAS1HDAC1HDAC8HDAC6CFTR
SCHEMBL8410748 0.75 TBXAS1 (0.49) TBXAS1PTGIRCYP19A1
SCHEMBL8412792 0.75 HDAC1 (0.32) TBXAS1RXRARXRBRXRGHDAC1
SCHEMBL8413617 0.75 HDAC1 (0.38) MCL1RXRARXRBRXRGHDAC1
SCHEMBL8411221 0.74 RXRA (0.37) MCL1RXRARXRBRXRGPTGIR
SCHEMBL8810220 0.73 PTGIR (0.41) TBXAS1MAPTPTGIRALDH1A1

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