SCHEMBL1274744

SCHEMBL1274744

CCCCOC(CCCC)=C(C#N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
ATM Q13315 1/20 0.39
HCAR2 Q8TDS4 3/20 0.39
TSHR P16473 4/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 3/20 0.36
MAPK1 P28482 3/20 0.36
CES1 P23141 2/20 0.34
NAAA Q02083 1/20 0.34
DGKA P23743 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP2C19 P33261 2/20 0.33
CES2 O00748 1/20 0.33
CYP2C9 P11712 1/20 0.33
ESR1 P03372 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
NR1H2 P55055 1/20 0.33
RNASEL Q05823 1/20 0.33

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
SCHEMBL16269712 0.88 ALDH1A1 (0.38) ALDH1A1TSHRLMNAMAPK1CES1
SCHEMBL1275353 0.83 HCAR2 (0.35) ALDH1A1HCAR2TSHRLMNAMAPK1
SCHEMBL1274513 0.83 CES1 (0.36) ALDH1A1TSHRLMNAMAPK1CES1
SCHEMBL600809 0.77 ALDH1A1 (0.40) ALDH1A1HCAR2TSHRLMNAMAPK1
SCHEMBL600808 0.77 ALDH1A1 (0.40) ALDH1A1HCAR2TSHRLMNAMAPK1
SCHEMBL1275349 0.75 ALDH1A1 (0.40) ALDH1A1ATMHCAR2TSHRHPGD
SCHEMBL28765429 0.75 ALDH1A1 (0.52) ALDH1A1ATMHCAR2TSHRHPGD
SCHEMBL28648365 0.75 ALDH1A1 (0.42) ALDH1A1ATMHCAR2TSHRHPGD
SCHEMBL20551180 0.75 ALDH1A1 (0.46) ALDH1A1TSHRLMNAMAPK1CES1
SCHEMBL7546476 0.74 CES1 (0.41) ALDH1A1TSHRCES1TDP1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951831-B1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO KGAA (DE) 2011-02-23 EP disclosed
EP-1951831-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER Henkel AG & Co. KGaA (DE) 2008-08-06 EP disclosed
EP-1945702-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER Henkel AG & Co. KGaA (DE) 2008-07-23 EP disclosed
WO-2007054113-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2007-05-18 WO disclosed
WO-2007054112-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2007-05-18 WO disclosed