SCHEMBL5867413

SCHEMBL5867413

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 2/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOD1 Q9Y239 2/20 0.38
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 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
SCHEMBL474687 1.00 GGT1 (0.41) GGT1KDM4EMAPTTHRBALOX15
SCHEMBL474688 1.00 GGT1 (0.41) GGT1KDM4EMAPTTHRBALOX15
SCHEMBL5904142 0.91 GGT1 (0.36) GGT1KDM4EMAPTTHRBALOX15
SCHEMBL3386652 0.89 NOD1 (0.49) GGT1KDM4EMAPTTHRBALOX15
SCHEMBL3386644 0.89 NOD1 (0.49) GGT1KDM4EMAPTTHRBALOX15
SCHEMBL8627016 0.87 GGT1 (0.46) GGT1KDM4EMAPTTHRBALOX15
SCHEMBL3260932 0.87 NOD1 (0.51) GGT1MAPTSMN1; SMN2NOD1FOLH1
SCHEMBL11162391 0.87 NOD1 (0.51) GGT1MAPTSMN1; SMN2NOD1FOLH1
SCHEMBL3260935 0.87 NOD1 (0.51) GGT1MAPTSMN1; SMN2NOD1FOLH1
SCHEMBL10630157 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379214-A1 HAIR RELAXER COMPOSITIONS COMPRISING AT LEAST ONE HYDROXIDE COMPOUND AND AT LEAST ONE ACTIVATING AGENT, AND METHODS OF USING SAME L'OREAL, S.A. (FR) 2004-01-14 EP claimed
US-20020159962-A1 Hair relaxer compositions comprising at least one hydroxide compound and at least one activating agent, and methods of using the same L'OREAL S.A. (FR) 2002-10-31 US claimed
WO-2002067875-A1 HAIR RELAXER COMPOSITIONS COMPRISING AT LEAST ONE HYDROXIDE COMPOUND AND AT LEAST ONE ACTIVATING AGENT, AND METHODS OF USING THE SAME L'OREAL S.A. (FR) 2002-09-06 WO claimed
US-7118736-B2 Hair relaxer compositions comprising at least one hydroxide compound and at least one activating agent, and methods of using the same L'OREAL (FR) 2006-10-10 US disclosed
EP-1379214-A1 HAIR RELAXER COMPOSITIONS COMPRISING AT LEAST ONE HYDROXIDE COMPOUND AND AT LEAST ONE ACTIVATING AGENT, AND METHODS OF USING SAME L'OREAL, S.A. (FR) 2004-01-14 EP disclosed
US-20020159962-A1 Hair relaxer compositions comprising at least one hydroxide compound and at least one activating agent, and methods of using the same L'OREAL S.A. (FR) 2002-10-31 US disclosed
WO-2002067875-A1 HAIR RELAXER COMPOSITIONS COMPRISING AT LEAST ONE HYDROXIDE COMPOUND AND AT LEAST ONE ACTIVATING AGENT, AND METHODS OF USING THE SAME L'OREAL S.A. (FR) 2002-09-06 WO disclosed