SCHEMBL7074796

SCHEMBL7074796

C=CCc1[nH]c(=O)[nH]c(=O)c1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYMP P19971 6/20 0.42
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MCL1 Q07820 1/20 0.33
DPYD Q12882 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MAPT P10636 2/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
ALOX15 P16050 2/20 0.30
HSD17B10 Q99714 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL7131727 0.78 NPSR1 (0.43) TYMPNPSR1ALDH1A1HPGDL3MBTL1
SCHEMBL30175907 0.76 NPSR1 (0.39) TYMPNPSR1DPYD
SCHEMBL30132270 0.72 TYMP (0.52) TYMPALDH1A1L3MBTL1ALOX15
SCHEMBL6570508 0.72 TYMP (0.46) TYMPL3MBTL1ALOX15
SCHEMBL14709896 0.71 TYMP (0.47) TYMPALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL9007002 0.69 TYMP (0.43) TYMPALDH1A1L3MBTL1KDM4EALOX15
SCHEMBL14478237 0.67 TYMP (0.45) TYMPL3MBTL1KDM4E
SCHEMBL4315838 0.67 KDM4E (0.43) TYMPL3MBTL1KDM4E
SCHEMBL21067903 0.65 TYMP (0.39) TYMPL3MBTL1
SCHEMBL9006882 0.64 ALOX15 (0.67) TYMPALDH1A1L3MBTL1KDM4EMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1443351-A Optical storage using materials comprising chromophore oligomers which can undergo cycloaddition OPTILINK AB (SE) 2003-09-17 CN disclosed
EP-1305798-A2 OPTICAL STORAGE USING MATERIALS COMPRISING CHROMOPHORE OLIGOMERS WHICH CAN UNDERGO CYCLOADDITION Riso National Laboratory (DK) 2003-05-02 EP disclosed
US-20020025401-A1 Optical storage using materials comprising chromophore oligomers which can undergo cycloaddition OPTILINK AB (SE) 2002-02-28 US disclosed
WO-2001097217-A2 OPTICAL STORAGE USING MATERIALS COMPRISING CHROMOPHORE OLIGOMERS WHICH CAN UNDERGO CYCLOADDITION OPTILINK AB (SE) 2001-12-20 WO disclosed