SCHEMBL5867412

SCHEMBL5867412

NC(=O)CC(S)CC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
ALOX15 P16050 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
BLM P54132 2/20 0.37
PMP22 Q01453 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP2C9 P11712 2/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37
RECQL P46063 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
SCHEMBL7950805 0.80
SCHEMBL9096981 0.79 RNPEP (0.44) TDP1ALDH1A1
SCHEMBL4133545 0.76 EPHX1 (0.50) CYP1A2
SCHEMBL10632400 0.75 CA2 (0.47) TP53CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL3069492 0.75
SCHEMBL17130392 0.75
SCHEMBL11204402 0.75
SCHEMBL5295086 0.74 GPR84 (0.42) TP53CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL10427592 0.73
SCHEMBL12085019 0.72 LMNA (0.41) TDP1ALDH1A1LMNAALOX15HPGD

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 8 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
US-4992267-A Mixture of alkali metal hydroxide and disulfide reducing agent JOHNSON PRODUCTS CO., INC. (US) 1991-02-12 US disclosed