SCHEMBL8411313

SCHEMBL8411313

O=C(O)C(CCc1nc(C(c2ccccc2)c2ccccc2)no1)Oc1cccc2c1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
PKM P14618 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.37
PAX8 Q06710 1/20 0.37
RXRA P19793 6/20 0.37
RXRB P28702 5/20 0.37
RXRG P48443 5/20 0.37
RBP1 P09455 1/20 0.36
MCL1 Q07820 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL8413682 0.91 POLB (0.43) POLBPKMMEN1KMT2ANPSR1
SCHEMBL8411128 0.78 ALDH1A1 (0.47) NPSR1ALDH1A1NPC1LMNAGAA
SCHEMBL8411148 0.78 RXRA (0.39) POLBKDM4ELMNARXRARXRB
SCHEMBL8414044 0.77 RXRA (0.43) POLBALDH1A1KDM4ERXRARXRB
SCHEMBL8414354 0.76 RXRA (0.39) POLBKDM4ELMNARXRARXRB
SCHEMBL8412765 0.76 RXRA (0.37) POLBKDM4ELMNARXRARXRB
SCHEMBL8413617 0.74 HDAC1 (0.38) POLBKDM4ELMNARXRARXRB
SCHEMBL8354923 0.74 PPARG (0.46) POLBPKMMEN1KMT2ANPSR1
SCHEMBL8410887 0.74 PTGIR (0.50) RXRARXRBRXRGMCL1PTGES
SCHEMBL8410710 0.73 RXRA (0.43) POLBALDH1A1KDM4ELMNARXRA

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