SCHEMBL4632067

SCHEMBL4632067

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.61
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
THRB P10828 1/20 0.57
ALOX15 P16050 1/20 0.57
NFKB1 P19838 1/20 0.57
PTGS2 P35354 1/20 0.57
THPO P40225 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
FOLH1 Q04609 3/20 0.49
MME P08473 3/20 0.41
MMP3 P08254 2/20 0.41
NAALAD2 Q9Y3Q0 2/20 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
SCHEMBL21134801 0.87 ACE (0.46) ACEKDM4EMAPTTHRBALOX15
SCHEMBL21134716 0.87 ACE (0.46) ACEKDM4EMAPTTHRBALOX15
SCHEMBL21135091 0.87 ACE (0.46) ACEKDM4EMAPTTHRBALOX15
SCHEMBL21153021 0.87 ACE (0.46) ACEKDM4EMAPTTHRBALOX15
SCHEMBL21134859 0.87 ACE (0.46) ACEKDM4EMAPTTHRBALOX15
SCHEMBL21134850 0.87 ACE (0.46) ACEKDM4EMAPTTHRBALOX15
SCHEMBL21134977 0.87 ACE (0.46) ACEKDM4EMAPTTHRBALOX15
SCHEMBL1158100 0.86
SCHEMBL499352 0.86
SCHEMBL340834 0.86

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