SCHEMBL468882

SCHEMBL468882

CCCOC(=O)[C@H](CC(N)=O)NC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAD P27708 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGS2 P35354 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL468881 1.00 CAD (0.36) CADSMN1; SMN2KDM4EMAPTTHRB
SCHEMBL468811 0.90 ALDH1A1 (0.44) SMN1; SMN2MAPTRECQLALDH1A1PLA2G2C
SCHEMBL468812 0.90 ALDH1A1 (0.44) SMN1; SMN2MAPTRECQLALDH1A1PLA2G2C
SCHEMBL468707 0.89 PLA2G2C (0.43) ALDH1A1PLA2G2CSIRT6SIRT1TLR2
SCHEMBL468708 0.89 PLA2G2C (0.43) ALDH1A1PLA2G2CSIRT6SIRT1TLR2
SCHEMBL468752 0.87 PLA2G2C (0.46) PLA2G2CSIRT6SIRT1TLR2
SCHEMBL468866 0.87 PLA2G2C (0.46) PLA2G2CSIRT6SIRT1TLR2
SCHEMBL468751 0.87 PLA2G2C (0.46) PLA2G2CSIRT6SIRT1TLR2
SCHEMBL468864 0.87 PLA2G2C (0.46) PLA2G2CSIRT6SIRT1TLR2
SCHEMBL468867 0.86 CAD (0.49) CADSMN1; SMN2KDM4EMAPTTHRB

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 3 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
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US disclosed