SCHEMBL468835

SCHEMBL468835

CC(=O)NC(CC(N)=O)C(=O)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS2 P35354 1/20 0.36
THPO P40225 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TSHR P16473 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
ELANE P08246 1/20 0.32
GNPAT O15228 1/20 0.32

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
SCHEMBL468837 1.00 ECE1 (0.40) ECE1ALDH1A1KDM4EMAPTTHRB
SCHEMBL468692 0.84 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL468693 0.84 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL468895 0.83 KDM4E (0.39) ECE1ALDH1A1KDM4EMAPTTHRB
SCHEMBL468894 0.83 KDM4E (0.39) ECE1ALDH1A1KDM4EMAPTTHRB
SCHEMBL19463198 0.83 KDM4E (0.39) ECE1ALDH1A1KDM4EMAPTTHRB
SCHEMBL468852 0.83 FOLH1 (0.38) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL468851 0.83 FOLH1 (0.38) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL468865 0.80 CAD (0.49) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL468867 0.80 CAD (0.49) ALDH1A1KDM4EMAPTTHRBALOX15

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE42902-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use TRISTRATA, INC. (US) 2011-11-08 US claimed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US disclosed