SCHEMBL14111179

SCHEMBL14111179

CCCC(NC(C)=O)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
PTGS2 P35354 1/20 0.45
THPO P40225 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.43
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CHRM1 P11229 2/20 0.37
AKR1A1 P14550 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
SCHEMBL12661040 1.00 NFKB1 (0.45) NFKB1KDM4EMAPTTHRBALOX15
SCHEMBL13525107 0.86 SIRT6 (0.49) NFKB1KDM4EMAPTTHRBALOX15
SCHEMBL20435333 0.85 SIRT6 (0.55) NFKB1KDM4EMAPTTHRBALOX15
SCHEMBL14978808 0.85 SIRT6 (0.55) NFKB1KDM4EMAPTTHRBALOX15
SCHEMBL16748603 0.84 MAPT (0.59) NFKB1KDM4EMAPTTHRBALOX15
SCHEMBL468725 0.84 MAPT (0.59) NFKB1KDM4EMAPTTHRBALOX15
SCHEMBL468726 0.84 MAPT (0.59) NFKB1KDM4EMAPTTHRBALOX15
SCHEMBL1741357 0.83 SIRT6 (0.58) MAPTSIRT6SIRT1CHRM1PLA2G2C
SCHEMBL6367910 0.82 CYP2C9 (0.43) NFKB1ALDH1A1HDAC7HDAC8HDAC6
SCHEMBL6693093 0.82 NFKB1 (0.42) NFKB1KDM4EMAPTTHRBALOX15

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-7396897-B2 N-α- and N-ε-lysine and ornithine compounds comprising a thiol function and cosmetic use thereof L'OREAL S.A. (FR) 2008-07-08 US disclosed