SCHEMBL4680394

SCHEMBL4680394

CCCC=CCCC(NCc1ccco1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
APEX1 P27695 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4677601 0.87 TDP1 (0.50) POLBL3MBTL1APEX1CTDSP1TDP1
SCHEMBL2252337 0.76 POLB (0.48) POLBL3MBTL1APEX1CTDSP1TDP1
SCHEMBL8962795 0.76 L3MBTL1 (0.49) POLBL3MBTL1APEX1CTDSP1TDP1
SCHEMBL6945061 0.76 L3MBTL1 (0.62) POLBL3MBTL1APEX1CTDSP1TDP1
SCHEMBL8962801 0.76 L3MBTL1 (0.49) POLBL3MBTL1APEX1CTDSP1TDP1
SCHEMBL6945066 0.76 L3MBTL1 (0.62) POLBL3MBTL1APEX1CTDSP1TDP1
SCHEMBL27624443 0.75 TLR2 (0.46) POLBL3MBTL1APEX1CTDSP1TDP1
SCHEMBL29860289 0.75 TLR2 (0.46) POLBL3MBTL1APEX1CTDSP1TDP1
SCHEMBL11241002 0.73 L3MBTL1 (0.61) POLBL3MBTL1APEX1CTDSP1TDP1
SCHEMBL1356510 0.72 ALDH1A1 (0.54) POLBL3MBTL1APEX1CTDSP1TDP1

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
EP-0945448-B1 5-ALKOXY-2(3H)-OXAZOLONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF UBE INDUSTRIES (JP) 2008-11-26 EP disclosed
US-6020496-A 5-alkoxy-2(3H)-oxazolone compounds and process for preparing the same UBE INDUSTRIES, LTD. (JP) 2000-02-01 US disclosed
EP-0945448-A1 5-ALKOXY-2(3H)-OXAZOLONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF UBE INDUSTRIES, LTD. (JP) 1999-09-29 EP disclosed