SCHEMBL23747404

SCHEMBL23747404

C=C(CCNC(C)C)CCC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.34
SLC15A2 Q16348 1/20 0.34
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
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
SCHEMBL13282148 0.83
SCHEMBL10125881 0.74 ALDH1A1 (0.41) ALDH1A1LMNASLC15A2ARG1ARG2
SCHEMBL24729166 0.73
SCHEMBL13662526 0.72 PAOX (0.48) ALDH1A1LMNASLC15A2TDP1
SCHEMBL23874295 0.72 KDM4E (0.43) ALDH1A1TDP1
SCHEMBL19849367 0.72 ALDH1A1 (0.48) ALDH1A1LMNASLC15A2
SCHEMBL25090250 0.71 PAOX (0.52) ALDH1A1
SCHEMBL25453230 0.71 PAOX (0.52) ALDH1A1
SCHEMBL23729381 0.71 PAOX (0.52) ALDH1A1
SCHEMBL22327372 0.71

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-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO disclosed