SCHEMBL14215543

SCHEMBL14215543

CC(C)CC(=O)NCCC=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
PSMB5 P28074 1/20 0.39
PTPN1 P18031 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
GGPS1 O95749 2/20 0.35
FDPS P14324 2/20 0.35
MEN1 O00255 1/20 0.35
CNR1 P21554 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
SCHEMBL18908668 0.87 SMN1; SMN2 (0.59) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL24259722 0.86 HPGD (0.50) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL23918721 0.85 SMN1; SMN2 (0.51) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL24959969 0.84 ALDH1A1 (0.38) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL25100443 0.78 SMN1; SMN2 (0.43) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL19116931 0.78 TP53 (0.52) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL23665086 0.78 KMT2A (0.56) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL18716191 0.78 SMN1; SMN2 (0.52) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL18199495 0.78 SMN1; SMN2 (0.66) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL20340484 0.78 SMN1; SMN2 (0.66) SMN1; SMN2TP53HPGDALDH1A1KMT2A

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-1925320-A2 Luciferases, fluorescent proteins, nucleic acids encoding the luciferases and fluorescent proteins and the use thereof in diagnostics Prolume, Ltd. (US) 2008-05-28 EP disclosed