SCHEMBL468692

SCHEMBL468692

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 4/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS2 P35354 1/20 0.37
THPO P40225 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
TSHR P16473 2/20 0.37
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL468693 1.00 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ESMN1; SMN2THRB
SCHEMBL468837 0.84 ECE1 (0.40) ALDH1A1MAPTKDM4ESMN1; SMN2THRB
SCHEMBL468835 0.84 ECE1 (0.40) ALDH1A1MAPTKDM4ESMN1; SMN2THRB
SCHEMBL468880 0.82 L3MBTL1 (0.42) ALDH1A1MAPTKDM4ESMN1; SMN2THRB
SCHEMBL468879 0.82 L3MBTL1 (0.42) ALDH1A1MAPTKDM4ESMN1; SMN2THRB
SCHEMBL5810228 0.81 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ESMN1; SMN2THRB
SCHEMBL5810231 0.81 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ESMN1; SMN2THRB
SCHEMBL9159179 0.81 LMNA (0.37) ALDH1A1MAPTTSHRLMNAMMP1
SCHEMBL8581978 0.81 LMNA (0.37) ALDH1A1MAPTTSHRLMNAMMP1
SCHEMBL9683613 0.80 LMNA (0.32) MAPTTSHRLMNA

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