SCHEMBL25544332

SCHEMBL25544332

NC(=O)CCCCCNC(=O)CO

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NAAA Q02083 1/20 0.47
CASP2 P42575 1/20 0.45
PRMT1 Q99873 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADRA1A P35348 1/20 0.41
SLC6A5 Q9Y345 2/20 0.40
FAAH O00519 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
DNM1 Q05193 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
EPHX2 P34913 2/20 0.38
PAOX Q6QHF9 2/20 0.38

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
SCHEMBL1940161 0.86 CASP2 (0.54) ALDH1A1SMN1; SMN2NAAACASP2PRMT1
SCHEMBL1156355 0.86 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2NAAACASP2PRMT1
SCHEMBL7707699 0.86 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2NAAACASP2PRMT1
SCHEMBL8746936 0.86 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2NAAACASP2PRMT1
SCHEMBL24864445 0.84 CASP2 (0.52) ALDH1A1SMN1; SMN2NAAACASP2PRMT1
SCHEMBL13368240 0.84 ECE1 (0.37) ALDH1A1SMN1; SMN2NAAACASP2MEN1
SCHEMBL29027777 0.83 NAAA (0.53) ALDH1A1SMN1; SMN2NAAACASP2SLC6A5
SCHEMBL25041332 0.83 NAAA (0.53) ALDH1A1SMN1; SMN2NAAACASP2SLC6A5
SCHEMBL10276926 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NAAACASP2PRMT1
SCHEMBL23587956 0.82 NAAA (0.52) ALDH1A1SMN1; SMN2NAAACASP2MEN1

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-2023078273-A1 SPECIFIC CONJUGATION FOR AN ANTIBODY-DRUG CONJUGATE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-05-11 WO disclosed