SCHEMBL6472972

SCHEMBL6472972

OC(CCc1ccccc1)=C(O)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.54
ALDH1A1 P00352 3/20 0.52
FFAR1 O14842 1/20 0.50
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
AKR1B1 P15121 1/20 0.46
HDAC1 Q13547 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45

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
SCHEMBL8145988 0.79 CES2 (0.44) ALDH1A1TDP1L3MBTL1HDAC8HDAC6
SCHEMBL7392796 0.78 KEAP1 (0.56) KEAP1ALDH1A1FFAR1TDP1L3MBTL1
SCHEMBL5371385 0.78 KEAP1 (0.56) KEAP1ALDH1A1FFAR1TDP1L3MBTL1
SCHEMBL10685859 0.78 KEAP1 (0.56) KEAP1ALDH1A1FFAR1TDP1L3MBTL1
SCHEMBL14571881 0.76 KEAP1 (0.53) KEAP1ALDH1A1FFAR1TDP1L3MBTL1
SCHEMBL452362 0.74 TDP1 (0.79) KEAP1ALDH1A1FFAR1TDP1L3MBTL1
SCHEMBL7371966 0.74 ALDH1A1 (0.59) KEAP1ALDH1A1FFAR1TDP1L3MBTL1
SCHEMBL8665089 0.74 KEAP1 (0.64) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL4141193 0.74 KEAP1 (0.64) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL351698 0.73 CES1 (0.60) KEAP1ALDH1A1TDP1L3MBTL1HDAC8

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
WO-2005050311-A1 STABILIZED HIGH-SPEED EMULSIONS AND PHOTOTHERMOGRAPHIC MATERIALS EASTMAN KODAK COMPANY (US) 2005-06-02 WO disclosed