SCHEMBL5420902

SCHEMBL5420902

[CH2]CN(CCCC)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.50
CA9 Q16790 5/20 0.50
CA1 P00915 4/20 0.50
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP8 P22894 1/20 0.47
ALDH1A1 P00352 2/20 0.40
ALDH2 P05091 1/20 0.40
CA2 P00918 3/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CES1 P23141 1/20 0.34
TSHR P16473 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34

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
SCHEMBL497913 0.85 CA12 (0.58) CA12CA9CA1MMP1MMP2
Hydrochloric Acid SCHEMBL3023639 0.83 CA12 (0.56) CA12CA9CA1MMP1MMP2
SCHEMBL498627 0.81 CA12 (0.54) CA12CA9CA1MMP1MMP2
SCHEMBL498027 0.81 CA12 (0.61) CA12CA9CA1MMP1MMP2
SCHEMBL13055373 0.81 CA12 (0.54) CA12CA9CA1MMP1MMP2
SCHEMBL7895006 0.79 CA12 (0.52) CA12CA9CA1MMP1MMP2
SCHEMBL19574077 0.79 CA12 (0.52) CA12CA9CA1MMP1MMP2
SCHEMBL27679983 0.78 ALDH1A1 (0.50) CA12CA9CA1MMP1MMP2
SCHEMBL4156766 0.78 CA12 (0.50) CA12CA9CA1MMP1MMP2
SCHEMBL8630907 0.77 CA12 (0.50) CA12CA9CA1MMP1MMP2

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-9427385-B2 Polyglycerol esters with a particular oligomer distribution of the polyglycerol EVONIK DEGUSSA GMBH (DE) 2016-08-30 US disclosed
US-20140072521-A1 POLYGLYCEROL ESTERS WITH A PARTICULAR OLIGOMER DISTRIBUTION OF THE POLYGLYCEROL EVONIK INDUSTRIES AG (DE) 2014-03-13 US disclosed
US-20070079447-A1 Insect repellent textile BEIERSDORF AG (DE) 2007-04-12 US disclosed