SCHEMBL8956435

SCHEMBL8956435

CCN(CC)CC(=O)NCCCS

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 3/20 0.39
DNM1 Q05193 2/20 0.39
ALDH1A1 P00352 6/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
MC4R P32245 1/20 0.38
SCN4A P35499 1/20 0.38
MC3R P41968 1/20 0.38
HTR3A P46098 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN3A Q9NY46 1/20 0.38
CASP2 P42575 1/20 0.37
HPGD P15428 2/20 0.37
BLM P54132 1/20 0.37
NAAA Q02083 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
SCHEMBL8956687 0.93 MEN1 (0.45) MEN1KMT2AGAADNM1ALDH1A1
SCHEMBL8956368 0.88 ALDH1A1 (0.40) MEN1KMT2AGAADNM1ALDH1A1
SCHEMBL23912654 0.84 CASP2 (0.48) MEN1KMT2ADNM1CASP2HPGD
SCHEMBL8956661 0.82 MEN1 (0.43) MEN1KMT2ADNM1ALDH1A1MAPK1
SCHEMBL13123172 0.81 CASP2 (0.60) MEN1KMT2ADNM1CASP2NAAA
SCHEMBL24393605 0.79 DNM1 (0.35) MEN1KMT2AGAADNM1ALDH1A1
Hydrochloric Acid SCHEMBL28469891 0.79 CASP2 (0.58) MEN1KMT2ADNM1CASP2NAAA
SCHEMBL8957018 0.79 ALDH1A1 (0.36) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL4578248 0.78 ALDH1A1 (0.41) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL4578245 0.78 ALDH1A1 (0.41) MEN1KMT2AGAAALDH1A1LMNA

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