SCHEMBL8956928

SCHEMBL8956928

CCNCC(=O)NCCOCCS

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
EPHX2 P34913 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MCL1 Q07820 1/20 0.31
CNR1 P21554 1/20 0.31
TSHR P16473 2/20 0.30
RECQL P46063 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8956669 0.82 MEN1 (0.39) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL8956996 0.81 MEN1 (0.38) MEN1KMT2AALDH1A1POLBMCL1
SCHEMBL24453194 0.79 MEN1 (0.38) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL8956580 0.78 MEN1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2MCL1
SCHEMBL16202803 0.77 MEN1 (0.36) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL8956512 0.75 MEN1 (0.39) MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL8957040 0.75 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EEPHX2
SCHEMBL5932298 0.75
SCHEMBL8957018 0.75 ALDH1A1 (0.36) MEN1KMT2AALDH1A1EPHX2SMN1; SMN2
SCHEMBL22856326 0.74 MEN1 (0.50) MEN1KMT2AEPHX2SMN1; SMN2MCL1

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