SCHEMBL16004377

SCHEMBL16004377

CNC(CC(=O)NCC(C)=O)C(C)=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL12200591 0.86 MAPT (0.34) PSMB5ALDH1A1
SCHEMBL12200598 0.86 MAPT (0.34) PSMB5ALDH1A1
SCHEMBL12225491 0.86 MAPT (0.34) PSMB5ALDH1A1
SCHEMBL14184587 0.82 MCL1 (0.38)
SCHEMBL22300364 0.81 ALDH1A1 (0.37) ALDH1A1
SCHEMBL17617892 0.79 MCL1 (0.34)
SCHEMBL19646651 0.78 ALDH1A1 (0.34) ALDH1A1
SCHEMBL13807013 0.78 ALDH1A1 (0.38) ALDH1A1
SCHEMBL15235435 0.78 CYP2D6 (0.30)
SCHEMBL13474987 0.78 ALDH1A1 (0.43) ALDH1A1TDP1

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
WO-2014131122-A1 FORMULATIONS OF GROWTH HORMONE RELEASING FACTOR (GRF) MOLECULES WITH IMPROVED STABILITY THERATECHNOLOGIES, INC. (CA) 2014-09-04 WO disclosed