SCHEMBL6399461

SCHEMBL6399461

CP(C)CC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 3/20 0.56
MAPK1 P28482 3/20 0.56
HPGD P15428 3/20 0.56
MEN1 O00255 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP3A4 P08684 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALOX15 P16050 1/20 0.56
CES1 P23141 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
LMNA P02545 3/20 0.56
NR4A2 P43354 1/20 0.56
ALDH1A1 P00352 4/20 0.52
GSK3B P49841 2/20 0.52
PTPN1 P18031 2/20 0.52
HIF1A Q16665 2/20 0.52
TRPA1 O75762 1/20 0.52
NPC1 O15118 2/20 0.50

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
SCHEMBL28468123 0.81 MAPK1 (0.61) TDP1KMT2AMAPTMAPK1HPGD
SCHEMBL17571016 0.78 KMT2A (0.52) TDP1KMT2AMAPTMAPK1HPGD
SCHEMBL719034 0.78 NR4A2 (0.85) TDP1KMT2AMAPTMAPK1HPGD
SCHEMBL30121738 0.78 NR4A2 (0.85) TDP1KMT2AMAPTMAPK1HPGD
SCHEMBL28267411 0.76 MAPT (0.54) TDP1KMT2AMAPTMAPK1HPGD
Butyrophenone SCHEMBL25423577 0.74 L3MBTL1 (0.77) TDP1KMT2AMAPTMAPK1HPGD
Butyrophenone SCHEMBL82532 0.74 L3MBTL1 (0.77) TDP1KMT2AMAPTMAPK1HPGD
Butyrophenone SCHEMBL9725428 0.74 L3MBTL1 (0.77) TDP1KMT2AMAPTMAPK1HPGD
Butyrophenone SCHEMBL11522791 0.74 L3MBTL1 (0.77) TDP1KMT2AMAPTMAPK1HPGD
Ethylene SCHEMBL22265209 0.74 MAPT (0.47) TDP1KMT2AMAPTMAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227166-A1 Active energy ray sensitive resin composition, active energy ray sensitive resin film and method for forming pattern using said film MURAKAMI CO., LTD. (JP) 2005-10-13 US disclosed