SCHEMBL8956871

SCHEMBL8956871

CNC(CC(C)C)C(=O)NCCS

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.49
SCN9A Q15858 1/20 0.43
CAPN1 P07384 4/20 0.39
CAPN9 O14815 2/20 0.39
CTSB P07858 2/20 0.39
MAPK1 P28482 1/20 0.39
BCHE P06276 1/20 0.38
ANPEP P15144 1/20 0.38
DNPEP Q9ULA0 1/20 0.38
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KISS1R Q969F8 1/20 0.36
MAPT P10636 1/20 0.36
CTSL P07711 2/20 0.35
LMNA P02545 1/20 0.35
CTSG P08311 1/20 0.35

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
SCHEMBL18966688 0.83 ANPEP (0.54) CACNA1BSCN9ACAPN1CAPN9CTSB
SCHEMBL8956497 0.81 USP2 (0.43) CACNA1BCTSSCTSKALDH1A1MAPT
SCHEMBL10046706 0.80 CACNA1B (0.55) CACNA1BSCN9ACAPN1BCHECTSS
SCHEMBL22622500 0.79 CACNA1B (0.46) CACNA1BSCN9ACAPN1CTSBBCHE
SCHEMBL19391023 0.77 CACNA1B (0.49) CACNA1BSCN9ACAPN1CAPN9CTSB
SCHEMBL8956500 0.76 USP2 (0.37) ANPEPDNPEPALDH1A1MAPTLMNA
SCHEMBL23961658 0.76 CACNA1B (0.51) CACNA1BSCN9ACAPN1CAPN9CTSB
SCHEMBL29740065 0.76 CACNA1B (0.51) CACNA1BSCN9ACAPN1CAPN9CTSB
SCHEMBL12226978 0.76 MMP9 (0.51) CACNA1BALDH1A1KISS1RMAPTLMNA
SCHEMBL13833235 0.76 MMP9 (0.51) CACNA1BALDH1A1KISS1RMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514282-B1 Alkylamino mercaptoalkylamides or salts thereof acceptable for cosmetic use, their use as a reducing agent and a process for the permanent deformation of hair OREAL (FR) 1996-04-10 EP claimed
US-5583257-A REDUCING AGENTS FOR PERMANENT HAIR; ODORLESS L'OREAL (FR) 1996-12-10 US disclosed
US-5449805-A Permanent waves for hair L'OREAL (FR) 1995-09-12 US disclosed
US-5334377-A Reduction of the disulfide bond of keratin; the oxidation L'OREAL (FR) 1994-08-02 US disclosed