SCHEMBL9752282

SCHEMBL9752282

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.52
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
PTGS2 P35354 1/20 0.42
THPO P40225 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MME P08473 3/20 0.42
FOLH1 Q04609 5/20 0.41
NAALAD2 Q9Y3Q0 3/20 0.38
RIMKLA Q8IXN7 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
SCHEMBL9752280 1.00 ACE (0.52) ACEKDM4EMAPTTHRBALOX15
SCHEMBL930999 0.85 ACE (0.72) ACEKDM4EMAPTTHRBALOX15
SCHEMBL30663369 0.83 ACE (0.50) ACEKDM4EMAPTTHRBALOX15
SCHEMBL9052241 0.83 ACE (0.50) ACEKDM4EMAPTTHRBALOX15
SCHEMBL30885617 0.83 ACE (0.50) ACEKDM4EMAPTTHRBALOX15
SCHEMBL929011 0.83 ACE (0.55) ACE
SCHEMBL9053775 0.83 ACE (0.50) ACEKDM4EMAPTTHRBALOX15
SCHEMBL929013 0.83 ACE (0.55) ACE
SCHEMBL9052239 0.83 ACE (0.50) ACEKDM4EMAPTTHRBALOX15
SCHEMBL8726316 0.83 ACE (0.55) ACE

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-1991010421-A1 USE OF N-ACYL DERIVATIVES OF HOMOCYSTEINE TO MODIFY THE STRUCTURE OF KERATIN AND COSMETIC COMPOSITIONS CONTAINING THESE DERIVATIVES RECKITT & COLMAN (FR) 1991-07-25 WO disclosed