SCHEMBL4633539

SCHEMBL4633539

CCN(C(=O)[C@H](CS)NC(C)=O)[C@@H](CS)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.56
ALOX15 P16050 1/20 0.56
NFKB1 P19838 1/20 0.56
PTGS2 P35354 1/20 0.56
THPO P40225 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 2/20 0.39
ACE P12821 1/20 0.37
FOLH1 Q04609 1/20 0.32
TSHR P16473 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL4633150 1.00 KDM4E (0.56) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4632660 0.84 MAPT (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL18735211 0.76 SMN1; SMN2 (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL38660143 0.76 KDM4E (0.36) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL3230289 0.76 KDM4E (0.36) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7646334 0.76 KDM4E (0.36) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL1041788 0.74 MAPT (0.91) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2028307 0.74 PTGS1 (0.34) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL20915033 0.74 MAPT (0.91) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7360975 0.74 PTGS1 (0.34) KDM4EMAPTTHRBALOX15NFKB1

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
EP-1584615-B1 Use of dimercaptoamides for permanently deforming of keratinic fibres OREAL (FR) 2008-05-28 EP claimed