SCHEMBL20634865

SCHEMBL20634865

CC[C@H](C)CCCC(=O)NCCCCCCC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.46
FAAH O00519 4/20 0.45
SLC6A5 Q9Y345 2/20 0.44
NAAA Q02083 1/20 0.44
ALDH1A1 P00352 1/20 0.43
DNM1 Q05193 2/20 0.43
EPHX2 P34913 3/20 0.42
NOD1 Q9Y239 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL20634894 0.87 CASP2 (0.42) CASP2FAAHSLC6A5NAAAALDH1A1
SCHEMBL12245391 0.84 FAAH (0.56) CASP2FAAHSLC6A5NAAADNM1
SCHEMBL19682981 0.84 CASP2 (0.44) CASP2FAAHSLC6A5NAAAALDH1A1
SCHEMBL21419232 0.83 CASP2 (0.57) CASP2FAAHSLC6A5NAAADNM1
SCHEMBL19155879 0.83 FAAH (0.58) CASP2FAAHSLC6A5NAAADNM1
SCHEMBL23279355 0.81 SOAT1 (0.44) FAAHALDH1A1MEN1KMT2A
SCHEMBL7383174 0.81 SOAT1 (0.44) FAAHALDH1A1MEN1KMT2A
SCHEMBL5506412 0.81 SOAT1 (0.44) FAAHALDH1A1MEN1KMT2A
SCHEMBL19577868 0.81 SOAT1 (0.44) FAAHALDH1A1MEN1KMT2A
SCHEMBL16539159 0.81 CA1 (0.40) FAAHMEN1KMT2A

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-2019008164-A1 BIOCONJUGATES WITH A CONTROLLED DEGREE OF CONJUGATION, THEIR PROCESS OF PREPARATION, AND THE REAGENTS FOR THEIR PREPARATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-01-10 WO disclosed