SCHEMBL8412765

SCHEMBL8412765

O=C(O)C(Cc1nc(C(c2ccccc2)c2ccccc2)co1)Oc1cccc2c1CCCC2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.37
RXRB P28702 9/20 0.37
RXRG P48443 6/20 0.37
PTGIR P43119 2/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
PPARG P37231 3/20 0.34
PPARA Q07869 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
MCL1 Q07820 1/20 0.33
PRMT5 O14744 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 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 0.83 HDAC1 (0.38) RXRARXRBRXRGPTGIRKDM4E
SCHEMBL8413682 0.83 POLB (0.43) RXRARXRBRXRGKDM4EPOLB
SCHEMBL8414354 0.81 RXRA (0.39) RXRARXRBRXRGPTGIRKDM4E
SCHEMBL8410982 0.81 RXRA (0.37) RXRARXRBRXRGPTGIRKDM4E
SCHEMBL8411148 0.79 RXRA (0.39) RXRARXRBRXRGPTGIRKDM4E
SCHEMBL8414356 0.78 RXRB (0.38) RXRARXRBRXRGPTGIRKDM4E
SCHEMBL8410755 0.78 TBXAS1 (0.35) RXRARXRBRXRGPTGIRPPARG
SCHEMBL8413481 0.77 PPARG (0.36) RXRARXRBRXRGPTGIRPPARG
SCHEMBL8411056 0.77 PTGIR (0.42) RXRARXRBRXRGPTGIRKDM4E
SCHEMBL8414257 0.76 PTGIR (0.38) RXRARXRBRXRGPTGIRPPARG

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