SCHEMBL1274513

SCHEMBL1274513

CCCCC(OC)=C(C#N)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.36
CES2 O00748 1/20 0.35
ALDH1A1 P00352 5/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HAO1 Q9UJM8 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 2/20 0.33
AKR1B1 P15121 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 5/20 0.33
PPARG P37231 6/20 0.32
PPARD Q03181 6/20 0.32
PPARA Q07869 6/20 0.32
GPR84 Q9NQS5 5/20 0.32
HDAC11 Q96DB2 5/20 0.32
TLR2 O60603 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
FABP4 P15090 2/20 0.32
PTPN1 P18031 2/20 0.32

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
SCHEMBL7963080 0.89 HDAC3 (0.34) CES1CES2ALDH1A1LMNAMAPK1
SCHEMBL7963079 0.89 HDAC3 (0.34) CES1CES2ALDH1A1LMNAMAPK1
SCHEMBL16269712 0.84 ALDH1A1 (0.38) CES1CES2ALDH1A1LMNAMAPK1
SCHEMBL1274744 0.83 ALDH1A1 (0.41) CES1CES2ALDH1A1LMNAMAPK1
SCHEMBL20551748 0.81 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL20551746 0.81 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL11175271 0.79 CES2 (0.53) CES1CES2ALDH1A1LMNAMAPK1
SCHEMBL11175275 0.79 CES2 (0.53) CES1CES2ALDH1A1LMNAMAPK1
SCHEMBL7546476 0.77 CES1 (0.41) CES1CES2ALDH1A1ALOX15AKR1B1
SCHEMBL7546515 0.76 CES1 (0.45) CES1CES2ALDH1A1GAAALOX15

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