SCHEMBL9300574

SCHEMBL9300574

C=CCN(CC=C)C(C)CC(=C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.39
TET3 O43151 1/20 0.39
TET1 Q8NFU7 1/20 0.39
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
GRM1 Q13255 1/20 0.38
GRM2 Q14416 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.31

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
SCHEMBL8969307 0.82 KMT2A (0.33) KMT2AALDH1A1KDM4EMEN1
SCHEMBL7608599 0.79 TET2 (0.43) TET2TET3TET1GRIK1GRIK2
SCHEMBL8756239 0.77 MEN1 (0.33) KMT2AALDH1A1MEN1
SCHEMBL1276124 0.75 KMT2A (0.35) ALOX15HSD17B10KMT2AALDH1A1KDM4E
SCHEMBL9774591 0.74 KMT2A (0.41) HSD17B10KMT2AALDH1A1KDM4EMEN1
SCHEMBL4383958 0.74 TET2 (0.46) TET2TET3TET1GRIK1GRIK2
SCHEMBL28715639 0.72 TET2 (0.45) TET2TET3TET1GRIK1GRIK2
Acrylic Acid SCHEMBL8862604 0.72 ALOX15 (0.54) TET2TET3TET1GRIK1GRIK2
Hydrochloric Acid SCHEMBL28385647 0.72 TET2 (0.45) TET2TET3TET1GRIK1GRIK2
Acrylic Acid SCHEMBL28013920 0.71 ALOX15 (0.52) TET2TET3TET1GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5330546-A Copolymer of diallyldimethylammonium chloride and a quaternary of a dialkylaminoethyl /meth/acrylate; flocculant NALCO CHEMICAL COMPANY (US) 1994-07-19 US claimed