SCHEMBL21782499

SCHEMBL21782499

NC(=O)CCCCCNC(=O)CCC(=O)N=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.43
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAAA Q02083 1/20 0.41
SLC6A5 Q9Y345 2/20 0.39
FAAH O00519 3/20 0.39
PRMT1 Q99873 1/20 0.37
DNM1 Q05193 1/20 0.37
EPHX2 P34913 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4A O75164 1/20 0.36
HIF1A Q16665 1/20 0.36
TET2 Q6N021 1/20 0.36
DOHH Q9BU89 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36

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
SCHEMBL24864445 0.85 CASP2 (0.52) CASP2ALDH1A1SMN1; SMN2NAAASLC6A5
SCHEMBL1940161 0.82 CASP2 (0.54) CASP2ALDH1A1SMN1; SMN2NAAASLC6A5
SCHEMBL14620924 0.80 SLC6A5 (0.43) CASP2ALDH1A1SMN1; SMN2NAAASLC6A5
SCHEMBL9307257 0.79 PRMT1 (0.55) CASP2ALDH1A1SMN1; SMN2NAAAPRMT1
SCHEMBL19113233 0.79 PRMT1 (0.55) CASP2ALDH1A1SMN1; SMN2NAAAPRMT1
SCHEMBL25666251 0.78 KMT2A (0.40) ALDH1A1FAAHMEN1KMT2AHDAC3
SCHEMBL13819838 0.78 CASP2 (0.60) CASP2NAAASLC6A5FAAHDNM1
SCHEMBL27318015 0.78 PRMT1 (0.59) CASP2ALDH1A1SMN1; SMN2PRMT1EPHX2
SCHEMBL24712683 0.77 HDAC3 (0.54) CASP2ALDH1A1SMN1; SMN2NAAASLC6A5
SCHEMBL20783724 0.76 PAOX (0.50) CASP2ALDH1A1SMN1; SMN2NAAASLC6A5

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-3249049-B1 COMPOUNDS AND METHODS FOR DETECTION OF ENZYMES THAT REMOVE SUCCINYL OR METHYL SUCCINYL GROUPS FROM EPSILON AMINO LYSINE MOIETIES ENZO LIFE SCIENCES INC (US) 2020-03-04 EP disclosed