SCHEMBL4640716

SCHEMBL4640716

C=C(Cc1ccccc1)C(=O)OCC=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CES1 P23141 2/20 0.41
CES2 O00748 1/20 0.41
AKR1B1 P15121 1/20 0.41
PAM P19021 1/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TSHR P16473 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
CTBP2 P56545 1/20 0.35
EPHX2 P34913 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6271225 0.87 ALDH1A1 (0.37) ALDH1A1MAPK1L3MBTL1CES1CES2
SCHEMBL6688014 0.85 CYP3A4 (0.50) ALDH1A1MAPK1L3MBTL1CES1CES2
SCHEMBL1093411 0.84 TDP1 (0.47) ALDH1A1MAPK1HDAC8HDAC6HCAR2
SCHEMBL9618267 0.83 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1CES1CES2
SCHEMBL6696083 0.80 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1CES1CES2
SCHEMBL9235730 0.78 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1CES1CES2
SCHEMBL9116026 0.78 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1CES1CES2
SCHEMBL394740 0.78 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1CES1CES2
SCHEMBL350915 0.77 CYP3A4 (0.41) ALDH1A1MAPK1L3MBTL1CES1CES2
SCHEMBL28582716 0.77 CES1 (0.52) ALDH1A1MAPK1L3MBTL1CES1CES2

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
EP-1954782-A1 ELECTROLUMINESCENT DEVICE WITH QUINAZOLINE COMPLEX EMITTER EASTMAN KODAK COMPANY (US) 2008-08-13 EP disclosed
EP-1833944-A1 ORGANIC ELEMENT FOR ELECTROLUMINESCENT DEVICES EASTMAN KODAK COMPANY (US) 2007-09-19 EP disclosed
WO-2007064479-A1 ELECTROLUMINESCENT DEVICE WITH QUINAZOLINE COMPLEX EMITTER EASTMAN KODAK COMPANY (US) 2007-06-07 WO disclosed
WO-2006033831-A1 ORGANIC ELEMENT FOR ELECTROLUMINESCENT DEVICES EASTMAN KODAK COMPANY (US) 2006-03-30 WO disclosed