SCHEMBL7167573

SCHEMBL7167573

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LPAR1 Q92633 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
CYP2C9 P11712 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5560693 0.93 CYP2C9 (0.32) ALDH1A1L3MBTL1CYP2C9KDM4ELMNA
SCHEMBL29372087 0.91 CYP2C9 (0.34) ALDH1A1CYP2C9KDM4ELMNASMN1; SMN2
SCHEMBL7165557 0.90 ALDH1A1 (0.33) ALDH1A1L3MBTL1CYP2C9LMNASMN1; SMN2
SCHEMBL16247073 0.88 ALDH1A1 (0.35) ALDH1A1CYP2C9KDM4ELMNASMN1; SMN2
SCHEMBL7167564 0.86 DNM1 (0.40) ALDH1A1L3MBTL1CYP2C9LMNA
SCHEMBL5561382 0.84 CYP2C9 (0.33) ALDH1A1CYP2C9LMNASMN1; SMN2
SCHEMBL6665840 0.84 ALDH1A1 (0.33) ALDH1A1
SCHEMBL20261959 0.84 CYP2C9 (0.38) ALDH1A1CYP2C9KDM4ELMNASMN1; SMN2
SCHEMBL15924890 0.82 CYP2C9 (0.34) ALDH1A1CYP2C9KDM4ELMNASMN1; SMN2
SCHEMBL540753 0.82 EP300 (0.37) ALDH1A1CYP2C9KDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1360257-A1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS Loctite (R & D) Limited (IE) 2003-11-12 EP disclosed
WO-2002053666-A1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS LOCTITE (R & D) LIMITED (IE) 2002-07-11 WO disclosed