SCHEMBL8956629

SCHEMBL8956629

CCCCNCC(=O)NCCS

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
CASP2 P42575 1/20 0.41
CNR1 P21554 1/20 0.40
DNM1 Q05193 2/20 0.40
EPHX1 P07099 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NAAA Q02083 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.38
FAAH O00519 2/20 0.38
HPGD P15428 1/20 0.38
FUCA1 P04066 1/20 0.37
PAOX Q6QHF9 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
SCHEMBL8956593 0.88 PAOX (0.39) GAACASP2CNR1DNM1HDAC1
SCHEMBL9188556 0.84 MCL1 (0.44) GAACASP2CNR1DNM1EPHX1
SCHEMBL3046011 0.83 HDAC3 (0.41) GAAHDAC1HDAC2MEN1KMT2A
SCHEMBL28528638 0.82 GAA (0.56) GAACASP2CNR1EPHX1HDAC1
SCHEMBL8956996 0.82 MEN1 (0.38) GAACASP2DNM1HDAC1HDAC2
SCHEMBL29255848 0.80 CASP2 (0.64) GAACASP2EPHX1NAAAMEN1
SCHEMBL7343085 0.80 CASP2 (0.64) GAACASP2EPHX1NAAAMEN1
SCHEMBL23637059 0.78 NAAA (0.53) GAACASP2CNR1EPHX1NAAA
SCHEMBL18515892 0.78 GAA (0.41) GAACASP2HDAC1HDAC2MEN1
SCHEMBL17663629 0.78 GAA (0.49) GAACASP2CNR1EPHX1NAAA

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