SCHEMBL4632664

SCHEMBL4632664

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
GSTK1 Q9Y2Q3 1/20 0.44
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
PTGS2 P35354 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MME P08473 5/20 0.37
ACE P12821 4/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
BLM P54132 2/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLO1 Q04760 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
SCHEMBL4633159 0.84 ACE (0.51) MAPTPTGS2MMEACEBLM
SCHEMBL4633548 0.84 ACE (0.51) MAPTPTGS2MMEACEBLM
SCHEMBL4632660 0.81 MAPT (0.45) PTGS1GSTK1MAPTALDH1A1PTGS2
SCHEMBL4632742 0.76 MAPT (0.56) PTGS1GSTK1MAPTALDH1A1PTGS2
SCHEMBL18263621 0.76 MAPT (0.60) PTGS1GSTK1MAPTALDH1A1PTGS2
SCHEMBL4424322 0.76 MAPT (0.60) PTGS1GSTK1MAPTALDH1A1PTGS2
SCHEMBL1393248 0.73 PTGS1 (0.41) PTGS1GSTK1MAPTALDH1A1PTGS2
SCHEMBL19579377 0.72 PTGS1 (0.58) PTGS1GSTK1MAPTALDH1A1PTGS2
SCHEMBL4966748 0.72 PTGS1 (0.58) PTGS1GSTK1MAPTALDH1A1PTGS2
SCHEMBL4966736 0.72 PTGS1 (0.58) PTGS1GSTK1MAPTALDH1A1PTGS2

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