SCHEMBL4677601

SCHEMBL4677601

CCCC(NCc1ccco1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 2/20 0.50
APEX1 P27695 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
EPHX2 P34913 1/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4680394 0.87 POLB (0.47) TDP1L3MBTL1POLBAPEX1CTDSP1
SCHEMBL2252337 0.83 POLB (0.48) TDP1L3MBTL1POLBAPEX1CTDSP1
SCHEMBL6945066 0.82 L3MBTL1 (0.62) TDP1L3MBTL1POLBAPEX1CTDSP1
SCHEMBL6945061 0.82 L3MBTL1 (0.62) TDP1L3MBTL1POLBAPEX1CTDSP1
SCHEMBL8962801 0.82 L3MBTL1 (0.49) TDP1L3MBTL1POLBAPEX1CTDSP1
SCHEMBL8962795 0.82 L3MBTL1 (0.49) TDP1L3MBTL1POLBAPEX1CTDSP1
SCHEMBL27624443 0.82 TLR2 (0.46) TDP1L3MBTL1POLBAPEX1CTDSP1
SCHEMBL29860289 0.82 TLR2 (0.46) TDP1L3MBTL1POLBAPEX1CTDSP1
SCHEMBL11241002 0.79 L3MBTL1 (0.61) TDP1L3MBTL1POLBAPEX1CTDSP1
SCHEMBL1356508 0.78 ALDH1A1 (0.54) TDP1L3MBTL1POLBAPEX1CTDSP1

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