SCHEMBL468833

SCHEMBL468833

CCCCOC(=O)CC(NC(C)=O)C(=O)OCCCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
NAAA Q02083 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
FAAH O00519 1/20 0.39
ATM Q13315 1/20 0.39
PLA2G2C Q5R387 1/20 0.39
PLA2G2A P14555 2/20 0.38
ACACB O00763 1/20 0.38
HPGD P15428 2/20 0.38
DGKA P23743 1/20 0.38
RECQL P46063 1/20 0.38
TSHR P16473 1/20 0.37
RAD52 P43351 1/20 0.37

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
SCHEMBL468834 1.00 ALDH1A1 (0.46) ALDH1A1NAAANPSR1MAPTMAPK1
SCHEMBL468820 0.94 NAAA (0.51) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL468819 0.94 NAAA (0.51) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL468854 0.94 NAAA (0.51) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL468856 0.94 NAAA (0.51) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL468849 0.90 MAPT (0.36) ALDH1A1NAAANPSR1MAPTMAPK1
SCHEMBL468847 0.90 MAPT (0.36) ALDH1A1NAAANPSR1MAPTMAPK1
SCHEMBL19090099 0.87 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2ATMPLA2G2C
SCHEMBL468812 0.85 ALDH1A1 (0.44) ALDH1A1NPSR1MAPTSMN1; SMN2ATM
SCHEMBL468811 0.85 ALDH1A1 (0.44) ALDH1A1NPSR1MAPTSMN1; SMN2ATM

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
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