SCHEMBL8413617

SCHEMBL8413617

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RXRA P19793 9/20 0.38
RXRB P28702 9/20 0.38
RXRG P48443 6/20 0.38
MCL1 Q07820 1/20 0.36
PPARG P37231 3/20 0.34
PPARA Q07869 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGIR P43119 2/20 0.33
C3AR1 Q16581 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 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
SCHEMBL8410755 0.94 TBXAS1 (0.35) HDAC1HDAC8HDAC6RXRARXRB
SCHEMBL8412765 0.83 RXRA (0.37) RXRARXRBRXRGMCL1PPARG
SCHEMBL8411148 0.82 RXRA (0.39) RXRARXRBRXRGMCL1PPARG
SCHEMBL8413481 0.82 PPARG (0.36) RXRARXRBRXRGPPARGPPARA
SCHEMBL8414356 0.81 RXRB (0.38) RXRARXRBRXRGMCL1PPARG
SCHEMBL8413682 0.80 POLB (0.43) RXRARXRBRXRGPPARGPPARA
SCHEMBL8414354 0.78 RXRA (0.39) RXRARXRBRXRGMCL1PPARG
SCHEMBL8410982 0.78 RXRA (0.37) RXRARXRBRXRGMCL1PPARG
SCHEMBL8413474 0.75 TBXAS1 (0.33) HDAC1HDAC8HDAC6RXRARXRB
SCHEMBL8414114 0.74 PTGIR (0.38) RXRARXRBRXRGMCL1PPARG

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