SCHEMBL19682981

SCHEMBL19682981

CC[C@H](C)CC(=O)NCCCCCC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NAAA Q02083 1/20 0.42
FAAH O00519 3/20 0.40
SLC6A5 Q9Y345 2/20 0.40
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
DNM1 Q05193 1/20 0.38
EPHX2 P34913 3/20 0.38
HPGD P15428 1/20 0.38
EPHX1 P07099 1/20 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
SCHEMBL25918071 0.87 CASP2 (0.44) CASP2KMT2AMEN1NAAAFAAH
SCHEMBL19903903 0.85 CASP2 (0.43) CASP2KMT2AMEN1NAAAFAAH
SCHEMBL19957918 0.85 PAOX (0.52) CASP2KMT2AMEN1NAAASLC6A5
SCHEMBL19957980 0.85 PAOX (0.52) CASP2KMT2AMEN1NAAASLC6A5
SCHEMBL20634865 0.84 CASP2 (0.46) CASP2KMT2AMEN1NAAAFAAH
SCHEMBL22433524 0.81 KMT2A (0.42) CASP2KMT2AMEN1SLC6A5ALDH1A1
SCHEMBL20310079 0.80 CASP2 (0.47) CASP2KMT2AMEN1NAAAFAAH
SCHEMBL14077543 0.78 MEN1 (0.71) CASP2KMT2AMEN1NAAAFAAH
SCHEMBL14086343 0.78 MEN1 (0.71) CASP2KMT2AMEN1NAAAFAAH
SCHEMBL13819835 0.77 CASP2 (0.74) CASP2KMT2AMEN1NAAAFAAH

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-2017210489-A1 COMPOUNDS M3 BIOTECHNOLOGY, INC. (US) 2017-12-07 WO disclosed