SCHEMBL1274740

SCHEMBL1274740

CCCCO/C(C(=O)O)=C(\C#N)CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 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
HTR2C P28335 1/20 0.35
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 3/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
NR1H2 P55055 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
SCHEMBL1275100 0.93 ALDH1A1 (0.41) ALDH1A1ATMHCAR2TSHRHPGD
SCHEMBL1275023 0.88 ALDH1A1 (0.42) ALDH1A1ATMHCAR2TSHRHPGD
SCHEMBL21525695 0.88 ALDH1A1 (0.38) ALDH1A1TSHRCES1DGKATDP1
SCHEMBL1274509 0.83 CES1 (0.36) ALDH1A1TSHRCES1TDP1CES2
SCHEMBL1275351 0.83 HCAR2 (0.35) ALDH1A1HCAR2TSHRLMNA
SCHEMBL21525693 0.82 GPR84 (0.41) ALDH1A1TSHRDGKATDP1ESR1
SCHEMBL28648365 0.78 ALDH1A1 (0.42) ALDH1A1ATMHCAR2TSHRHPGD
SCHEMBL1274501 0.77 ALDH1A1 (0.40) ALDH1A1HCAR2TSHRL3MBTL1CYP2C9
SCHEMBL1275385 0.77 HCAR2 (0.36) ALDH1A1HCAR2TSHRTDP1ESR1
SCHEMBL21525718 0.77 HAO1 (0.43) ALDH1A1TSHRTDP1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1360257-B1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS LOCTITE R & D LTD (IE) 2007-07-25 EP claimed
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