SCHEMBL9123200

SCHEMBL9123200

NCC(=O)NCCCCCS

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC3 O15379 6/20 0.46
HDAC4 P56524 6/20 0.46
HDAC1 Q13547 6/20 0.46
HDAC7 Q8WUI4 6/20 0.46
HDAC2 Q92769 6/20 0.46
HDAC10 Q969S8 6/20 0.46
HDAC11 Q96DB2 6/20 0.46
HDAC8 Q9BY41 6/20 0.46
HDAC6 Q9UBN7 6/20 0.46
HDAC9 Q9UKV0 6/20 0.46
HDAC5 Q9UQL6 6/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PAOX Q6QHF9 2/20 0.42
CASP2 P42575 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL9127289 0.91
SCHEMBL24611784 0.89 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2APAOX
SCHEMBL14198854 0.89 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2APAOX
SCHEMBL16853212 0.86 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2APAOX
SCHEMBL9124008 0.83 HDAC3 (0.47) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL10276927 0.82 PAOX (0.61) ALDH1A1SMN1; SMN2MEN1KMT2APAOX
SCHEMBL19186288 0.82 PAOX (0.61) ALDH1A1SMN1; SMN2MEN1KMT2APAOX
SCHEMBL930344 0.82 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL9128874 0.82 SLC6A5 (0.51) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL4863347 0.81

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