SCHEMBL7147454

SCHEMBL7147454

CCCC=C(C#N)C(=O)OCC(C)OC(C)CCCC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C9 P11712 2/20 0.35
TP53 P04637 2/20 0.34
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 2/20 0.31
FAAH O00519 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
SCHEMBL6662340 0.92 MAPT (0.37) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7147461 0.88
SCHEMBL6668627 0.87 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7737775 0.85 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7544282 0.85 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL22502666 0.82 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7745781 0.82 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7547010 0.82 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL22502668 0.81 CYP2C9 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7542229 0.81 MAPT (0.43) ALDH1A1MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9752049-B2 Optically transparent, superhydrophobic, biocompatible thin film coatings and methods for producing same UT-BATTELLE, LLC (US) 2017-09-05 US claimed
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