SCHEMBL26525742

SCHEMBL26525742

NC(=O)NCCCC(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.37
DPP7 Q9UHL4 2/20 0.34
BCAT2 O15382 1/20 0.34
OTC P00480 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH2 P05091 1/20 0.33
ALDH1A3 P47895 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DDAH1 O94760 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
RRM1 P23921 1/20 0.32
ARG1 P05089 1/20 0.32
PAOX Q6QHF9 2/20 0.31
HTT P42858 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
SCHEMBL26633291 0.91 ALDH1A1 (0.40) DPP7ALDH1A1ALDH1A2ALDH2ALDH1A3
SCHEMBL9249632 0.85
SCHEMBL7763876 0.81 DPP7 (0.38) C3AR1DPP7OTCALDH1A1ALDH1A2
SCHEMBL29044365 0.81 BCAT2 (0.34) BCAT2ALDH1A1TDP1MEN1KMT2A
SCHEMBL23286105 0.80 DPP7 (0.35) C3AR1DPP7BCAT2OTCALDH1A1
SCHEMBL3346616 0.80 GPR84 (0.45) C3AR1BCAT2OTCDDAH1MEN1
SCHEMBL19143668 0.80 DPP7 (0.35) C3AR1DPP7BCAT2OTCALDH1A1
SCHEMBL3347293 0.80 GPR84 (0.45) C3AR1BCAT2OTCDDAH1MEN1
SCHEMBL13937744 0.79 ANPEP (0.40) C3AR1DPP7MEN1KMT2AGAA
SCHEMBL1837224 0.79 KDM4E (0.48) ALDH1A1ALDH1A2ALDH2ALDH1A3TDP1

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-2023076586-A1 DELIVERY OF THERAPEUTIC ALKALOID COMPOUNDS SENSORIUM THERAPEUTICS, INC. (US) 2023-05-04 WO disclosed