SCHEMBL4632774

SCHEMBL4632774

CSC(NC(=O)CS)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS2 P35354 1/20 0.36
THPO P40225 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACE P12821 1/20 0.33
RNPEP Q9H4A4 2/20 0.32
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4949826 0.81 TGFBR1 (0.31)
SCHEMBL4954147 0.81 CYP2C9 (0.43) MAPT
SCHEMBL4632129 0.80 KDM4E (0.34) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4949838 0.78 HDAC3 (0.41) MAPTSMN1; SMN2
SCHEMBL19506668 0.73 KDM4E (0.44) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4955444 0.73 KDM4E (0.41) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13445357 0.71 MME (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL11092329 0.70 THRB (0.38) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL19506440 0.69 FNTA (0.54) ALOX15RNPEP
SCHEMBL21691949 0.69 MAPT (0.39) 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