SCHEMBL4539693

SCHEMBL4539693

CCCCCCCCCCCCCC(=O)NC(C)C(S)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.73
ALDH1A1 P00352 1/20 0.73
ACER2 Q5QJU3 1/20 0.73
CERT1 Q9Y5P4 3/20 0.56
MEN1 O00255 1/20 0.51
FAAH O00519 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
UGCG Q16739 1/20 0.51
EPHX2 P34913 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL4234738 0.84 ASAH1 (1.00) ASAH1ALDH1A1ACER2CERT1MEN1
SCHEMBL4239949 0.84 ASAH1 (1.00) ASAH1ALDH1A1ACER2CERT1MEN1
SCHEMBL8341673 0.84 ASAH1 (1.00) ASAH1ALDH1A1ACER2CERT1MEN1
SCHEMBL13930310 0.84 ASAH1 (1.00) ASAH1ALDH1A1ACER2CERT1MEN1
SCHEMBL611869 0.84 ASAH1 (1.00) ASAH1ALDH1A1ACER2CERT1MEN1
SCHEMBL360960 0.84 ASAH1 (1.00) ASAH1ALDH1A1ACER2CERT1MEN1
SCHEMBL13930311 0.84 ASAH1 (1.00) ASAH1ALDH1A1ACER2CERT1MEN1
SCHEMBL8340882 0.84 ASAH1 (1.00) ASAH1ALDH1A1ACER2CERT1MEN1
SCHEMBL13930314 0.84 ASAH1 (1.00) ASAH1ALDH1A1ACER2CERT1MEN1
SCHEMBL4183115 0.82 ALDH1A1 (0.72) ASAH1ALDH1A1ACER2CERT1MEN1

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-2009100116-A1 OLIGODENDROCYTE PRECURSOR CELL COMPOSITION AND METHODS OF USE MEDICAL COLLEGE OF GEORGIA RESEARCH INSTITUTE (US) 2009-08-13 WO disclosed