SCHEMBL16500488

SCHEMBL16500488

C=CCN(CC=C)C(=C)COCCOCC(=O)N(CC=C)CC=C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
TP53 P04637 2/20 0.31
TSHR P16473 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL15284855 0.91 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL14252722 0.89 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL2641242 0.82 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL2489450 0.80 ALDH1A1 (0.38) ALDH1A1
SCHEMBL24178952 0.74 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL9259862 0.73 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL16303102 0.69 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL11272258 0.68 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL11839696 0.68 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
N,N-Diallyl-2-Chloroacetamide SCHEMBL53540 0.68 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A

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
EP-1107997-B1 POLYMER PRODUCTION QINETIQ LTD (GB) 2010-01-27 EP disclosed