SCHEMBL5090096

SCHEMBL5090096

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.36
TSHR P16473 7/20 0.35
ALDH1A1 P00352 5/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 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
Acrylic Acid SCHEMBL25407941 0.83 LMNA (0.43) MCL1TSHRALDH1A1HSD17B10
SCHEMBL11500044 0.81 TSHR (0.37) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL433292 0.78 MCL1 (0.48) MCL1ALDH1A1
SCHEMBL3988292 0.78 TSHR (0.55) MCL1TSHRALDH1A1TP53HIF1A
SCHEMBL25407936 0.77 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL587462 0.77
Acrylic Acid SCHEMBL25407944 0.76 LMNA (0.37) MCL1TSHRALDH1A1HSD17B10
SCHEMBL27849982 0.76 MCL1 (0.46) MCL1ALDH1A1
SCHEMBL12085149 0.75 TSHR (0.62) MCL1TSHRALDH1A1TP53HIF1A
SCHEMBL400958 0.75 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435777-B2 Low-VOC compositions containing a polymeric latex, coatings made therefrom, substrates containing same, and methods for making same COLUMBIA INSURANCE COMPANY (US) 2008-10-14 US disclosed
WO-2007102878-A2 LOW-VOC COMPOSITIONS CONTAINING A POLYMERIC LATEX, COATINGS MADE THEREFROM, SUBSTRATES CONTAINING SAME, AND METHOD FOR MAKING SAME BENJAMIN MOORE & CO. (US) 2007-09-13 WO disclosed
US-20070154646-A1 Low-VOC compositions containing a polymeric latex, coatings made therefrom, substrates containing same, and methods for making same COLUMBIA INSURANCE COMPANY 2007-07-05 US disclosed
CN-1606543-A Alpha-cyanoacrylic acid esters BASF AG (DE) 2005-04-13 CN disclosed