SCHEMBL1274741

SCHEMBL1274741

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
THRB P10828 1/20 0.40
PGGT1B P53609 1/20 0.40
ATM Q13315 1/20 0.39
HCAR2 Q8TDS4 3/20 0.39
TSHR P16473 4/20 0.37
HPGD P15428 2/20 0.37
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
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 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
SCHEMBL1275103 0.93 ALDH1A1 (0.41) ALDH1A1FNTAFNTBTHRBPGGT1B
SCHEMBL1275024 0.88 ALDH1A1 (0.42) ALDH1A1FNTAFNTBTHRBPGGT1B
SCHEMBL16247070 0.83 FNTA (0.38) ALDH1A1FNTAFNTBTHRBPGGT1B
SCHEMBL1274512 0.83 FNTA (0.42) ALDH1A1FNTAFNTBTHRBPGGT1B
SCHEMBL1275352 0.83 HCAR2 (0.35) ALDH1A1FNTAFNTBTHRBPGGT1B
SCHEMBL1274488 0.79 ALDH1A1 (0.48) ALDH1A1FNTAFNTBTHRBPGGT1B
SCHEMBL7167561 0.78 FNTA (0.39) ALDH1A1FNTAFNTBTHRBPGGT1B
SCHEMBL16246774 0.78 ALDH1A1 (0.33) ALDH1A1FNTAFNTBTHRBPGGT1B
SCHEMBL1275387 0.77 HCAR2 (0.36) ALDH1A1HCAR2TSHRTDP1CYP2C9
SCHEMBL1274503 0.77 ALDH1A1 (0.40) ALDH1A1FNTAFNTBTHRBPGGT1B

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