SCHEMBL4632742

SCHEMBL4632742

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
PTGS2 P35354 2/20 0.56
BLM P54132 2/20 0.56
KDM4E B2RXH2 1/20 0.56
THRB P10828 1/20 0.56
ALOX15 P16050 1/20 0.56
NFKB1 P19838 1/20 0.56
THPO P40225 1/20 0.56
RECQL P46063 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PTGS1 P23219 1/20 0.52
GSTK1 Q9Y2Q3 1/20 0.52
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ACE P12821 5/20 0.43
MME P08473 5/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
GNPAT O15228 1/20 0.40

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
SCHEMBL4424322 0.96 MAPT (0.60) MAPTPTGS2BLMKDM4ETHRB
SCHEMBL18263621 0.96 MAPT (0.60) MAPTPTGS2BLMKDM4ETHRB
SCHEMBL29774451 0.91 PTGS1 (0.52) MAPTPTGS2BLMKDM4ETHRB
SCHEMBL17287153 0.90 PTGS1 (0.57) MAPTPTGS2BLMKDM4ETHRB
SCHEMBL30065558 0.90 PTGS1 (0.54) MAPTPTGS2BLMKDM4ETHRB
SCHEMBL14647811 0.84 MAPT (0.54) MAPTPTGS2BLMKDM4ETHRB
SCHEMBL236405 0.82 PTGS1 (0.67) MAPTPTGS2BLMKDM4ETHRB
SCHEMBL20787749 0.82 PTGS1 (0.67) MAPTPTGS2BLMKDM4ETHRB
SCHEMBL29436285 0.82 SIRT5 (0.46) MAPTPTGS2BLMKDM4ETHRB
SCHEMBL31134521 0.82 SIRT5 (0.46) MAPTPTGS2BLMKDM4ETHRB

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 4 patents. 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
EP-1584615-A1 Use of dimercaptoamides for permanently deforming of keratinic fibres L'OREAL (FR) 2005-10-12 EP claimed
EP-1584615-B1 Use of dimercaptoamides for permanently deforming of keratinic fibres OREAL (FR) 2008-05-28 EP disclosed
EP-1584615-A1 Use of dimercaptoamides for permanently deforming of keratinic fibres L'OREAL (FR) 2005-10-12 EP disclosed