SCHEMBL5507865

SCHEMBL5507865

O=C(O)[C@H](CCS)NCCCN[C@@H](CCS)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 2/20 0.43
FOLH1 Q04609 6/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS2 P35354 1/20 0.38
THPO P40225 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOD1 Q9Y239 1/20 0.37
ACE P12821 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
ANPEP P15144 1/20 0.33
ENPEP Q07075 1/20 0.33
RIMKLA Q8IXN7 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33

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
SCHEMBL8627016 0.91 GGT1 (0.46) GGT1FOLH1KDM4EMAPTTHRB
SCHEMBL145047 0.89 GGT1 (0.44) GGT1FOLH1KDM4EMAPTTHRB
SCHEMBL3386652 0.88 NOD1 (0.49) GGT1KDM4EMAPTTHRBALOX15
SCHEMBL3386644 0.88 NOD1 (0.49) GGT1KDM4EMAPTTHRBALOX15
SCHEMBL2789676 0.88 GGT1 (0.42) GGT1FOLH1KDM4EMAPTTHRB
SCHEMBL3260935 0.87 NOD1 (0.51) GGT1FOLH1MAPTSMN1; SMN2NOD1
SCHEMBL11162391 0.87 NOD1 (0.51) GGT1FOLH1MAPTSMN1; SMN2NOD1
SCHEMBL3260932 0.87 NOD1 (0.51) GGT1FOLH1MAPTSMN1; SMN2NOD1
SCHEMBL10630157 0.85 NOD1 (0.53) MAPTNOD1ITGB3ITGA2B
SCHEMBL10630165 0.85 NOD1 (0.53) MAPTNOD1ITGB3ITGA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844007-A1 USE OF AMINODITHIOL AS A REDUCING AGENT FOR HAIR PERMING L'Oréal (FR) 2007-10-17 EP claimed
WO-2006077170-A1 USE OF AMINODITHIOL AS A REDUCING AGENT FOR HAIR PERMING L'OREAL (FR) 2006-07-27 WO claimed