SCHEMBL8414037

SCHEMBL8414037

O=C(O)C(=CCn1nncc1C(c1ccccc1)c1ccccc1)Oc1cccc2c1CCCC2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.36
RXRB P28702 9/20 0.36
RXRG P48443 6/20 0.36
PTGIR P43119 4/20 0.35
MCL1 Q07820 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
PRMT5 O14744 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
FAAH O00519 1/20 0.31
DRD3 P35462 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL8414114 0.78 PTGIR (0.38) RXRARXRBRXRGPTGIRMCL1
SCHEMBL8414341 0.77 MCL1 (0.35) RXRARXRBRXRGPTGIRMCL1
SCHEMBL8412763 0.75 RXRA (0.35) RXRARXRBRXRGPTGIRMCL1
SCHEMBL8411183 0.75 RXRA (0.38) RXRARXRBRXRGPTGIRMCL1
SCHEMBL8411221 0.73 RXRA (0.37) RXRARXRBRXRGPTGIRMCL1
SCHEMBL8410980 0.73 RXRA (0.37) RXRARXRBRXRGPTGIRMCL1
SCHEMBL8413474 0.73 TBXAS1 (0.33) RXRARXRBRXRGPTGIRMCL1
SCHEMBL8411079 0.71 RXRA (0.34) RXRARXRBRXRGPTGIRMCL1
SCHEMBL8413330 0.70 RXRB (0.40) RXRARXRBRXRGMCL1MRGPRX4
SCHEMBL8414109 0.70 PTGIR (0.56) 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