SCHEMBL8413682

SCHEMBL8413682

O=C(O)C(Cc1nc(C(c2ccccc2)c2ccccc2)no1)Oc1cccc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
PKM P14618 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
RXRA P19793 6/20 0.37
RXRB P28702 6/20 0.37
RXRG P48443 4/20 0.37
RBP1 P09455 2/20 0.37
MAPK1 P28482 1/20 0.36
PAX8 Q06710 1/20 0.36
MAPT P10636 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 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
SCHEMBL8411313 0.91 POLB (0.42) POLBPKMMEN1KMT2AALDH1A1
SCHEMBL8411148 0.83 RXRA (0.39) POLBKDM4ELMNARXRARXRB
SCHEMBL8412765 0.83 RXRA (0.37) POLBKDM4ELMNARXRARXRB
SCHEMBL8414354 0.81 RXRA (0.39) POLBKDM4ELMNARXRARXRB
SCHEMBL8413617 0.80 HDAC1 (0.38) POLBKDM4ELMNARXRARXRB
SCHEMBL8414356 0.78 RXRB (0.38) POLBKDM4ELMNARXRARXRB
SCHEMBL8413481 0.77 PPARG (0.36) LMNARXRARXRBRXRGPPARG
SCHEMBL8410982 0.77 RXRA (0.37) POLBKDM4ELMNARXRARXRB
SCHEMBL8410755 0.75 TBXAS1 (0.35) ALDH1A1NPSR1RXRARXRBRXRG
SCHEMBL8410745 0.73 PTGIR (0.51) POLBKDM4ELMNARXRARXRB

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