SCHEMBL8841270

SCHEMBL8841270

C=CC(=O)N(C(=O)C=C)C(=O)NC(CO)(CO)CO

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL105869 0.72 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL181176 0.67 LMNA (0.44) ALDH1A1MAPK1
SCHEMBL3622188 0.64 LMNA (0.41) ALDH1A1MAPK1
SCHEMBL7637582 0.64 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL11629259 0.63 LMNA (0.35) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL4918832 0.63 HRH3 (0.33) HRH3
SCHEMBL7780085 0.63 ALDH1A1 (0.32) ALDH1A1MAPK1
SCHEMBL19512283 0.62 HRH3 (0.35) HRH3
SCHEMBL452629 0.62 HRH3 (0.35) HRH3
SCHEMBL2172164 0.61 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2

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-0809103-A2 Stable denaturants for use in electrophoretic techniques and methods of using the same FMC CORPORATION (US) 1997-11-26 EP disclosed