SCHEMBL9124672

SCHEMBL9124672

CC(N)C(=O)NCCCCCS

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A2 O94788 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALDH2 P05091 1/20 0.45
ALDH1A3 P47895 1/20 0.45
RRM1 P23921 1/20 0.45
DPP7 Q9UHL4 2/20 0.44
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42

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
SCHEMBL9126207 0.92 DPP7 (0.43) ALDH1A2ALDH1A1ALDH2ALDH1A3RRM1
SCHEMBL15623812 0.90 ALDH1A2 (0.54) ALDH1A2ALDH1A1ALDH2ALDH1A3RRM1
SCHEMBL636786 0.84
SCHEMBL5873378 0.84
SCHEMBL4622133 0.84
SCHEMBL6238460 0.82 DPP7 (0.65) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL20801620 0.82 DPP7 (0.65) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL20707200 0.82 DPP7 (0.65) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL15623802 0.82 GNAI3 (0.60) ALDH1A2ALDH1A1ALDH2ALDH1A3RRM1
SCHEMBL929877 0.82 ALDH1A1 (0.48) ALDH1A2ALDH1A1ALDH2ALDH1A3RRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5466878-A Reducing composition for the permanent deformation of hair containing as a reducing agent, an amino mercaptoalkylamide or a salt thereof L'OREAL (FR) 1995-11-14 US claimed
EP-0432000-B1 REDUCING COMPOSITION FOR PERMANENT HAIRWAVING, COMPRISING AS REDUCING AGENT AN AMINO-MERCAPTOALKYLAMIDE OR ONE OF ITS SALTS, AND ITS USE IN A PROCESS FOR PERMANENT HAIRWAVING L'OREAL (FR) 1993-08-11 EP claimed
US-5085860-A Odorless L'OREAL (FR) 1992-02-04 US claimed
US-5466878-A Reducing composition for the permanent deformation of hair containing as a reducing agent, an amino mercaptoalkylamide or a salt thereof L'OREAL (FR) 1995-11-14 US disclosed
US-5085860-A Odorless L'OREAL (FR) 1992-02-04 US disclosed