SCHEMBL4932016

SCHEMBL4932016

C=C(CC=Cc1ccccc1)C(=O)OC.C=COC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.45
MAOB P27338 4/20 0.43
MAOA P21397 3/20 0.39
LMNA P02545 1/20 0.37
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
GLA P06280 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 4/20 0.36
POLB P06746 2/20 0.36
RAB9A P51151 2/20 0.35
HDAC1 Q13547 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL96726 0.89 PAM (0.56) PAMMAOBMAOALMNACYP4F2
Butadiene SCHEMBL337854 0.88 PAM (0.51) PAMMAOBMAOALMNACYP4F2
Methacrylic Acid SCHEMBL491632 0.87 PAM (0.50) PAMMAOBMAOALMNACYP4F2
SCHEMBL678463 0.87 PAM (0.50) PAMMAOBMAOALMNACYP4F2
1,4-Butanediol SCHEMBL10595488 0.85 PAM (0.49) PAMMAOBMAOALMNACYP4F2
SCHEMBL9478021 0.84 PAM (0.47) PAMMAOBMAOALMNACYP4F2
Acrylonitrile SCHEMBL3628806 0.83 PAM (0.46) PAMMAOBMAOALMNACYP4F2
SCHEMBL5496306 0.82 PAM (0.45) PAMMAOBMAOALMNACYP4F2
Acrylonitrile SCHEMBL3797624 0.81 PAM (0.44) PAMMAOBMAOALMNACYP4F2
SCHEMBL2032565 0.80 PAM (0.49) PAMMAOBMAOALMNACYP4F2

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
US-20080021185-A1 initiator systems; block polymers of vinyl acetate, vinyl alcohol, or polyvinyl butyral; use as water-soluble films, biodegradable and water-soluble polymers, detergents, in adhesives and as emulsifier; e.g. star polyethylene glycol modified with polyvinyl alcohol groups through a phenylene spacer CELANESE VENTURES GMBH (DE) 2008-01-24 US disclosed
US-20060160974-A1 Novel polyvinyl esters CELANESE VENTURES GMBH (DE) 2006-07-20 US disclosed