SCHEMBL8975718

SCHEMBL8975718

CCNC(CCCCCS)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 6/20 0.39
MMP9 P14780 3/20 0.39
HDAC4 P56524 6/20 0.38
HDAC1 Q13547 6/20 0.38
FOLH1 Q04609 2/20 0.36
HDAC6 Q9UBN7 1/20 0.34
CPB2 Q96IY4 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SIRT6 Q8N6T7 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
TLR8 Q9NR97 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
SCHEMBL8976019 0.93 MMP3 (0.35) MMP3MMP9HDAC4HDAC1FOLH1
SCHEMBL31520085 0.85 MMP3 (0.44) MMP3MMP9CA1CA2SIRT6
SCHEMBL31520094 0.85 MMP3 (0.44) MMP3MMP9CA1CA2SIRT6
SCHEMBL8975813 0.85 MMP3 (0.33) MMP3MMP9CA1CA2
SCHEMBL15834023 0.81 FOLH1 (0.45) FOLH1CPB2CA1SIRT6SIRT1
SCHEMBL8975574 0.81 FOLH1 (0.38) MMP3MMP9HDAC4HDAC1FOLH1
SCHEMBL19475787 0.81 CA2 (0.50) MMP3MMP9CA1CA2TLR8
SCHEMBL26743887 0.79 KISS1R (0.35) MMP3MMP9FOLH1CPB2CA1
Hydrochloric Acid SCHEMBL8527464 0.78 FOLH1 (0.38) FOLH1CPB2CA1CA2SIRT6
SCHEMBL24040349 0.77 CA1 (0.39) MMP3MMP9HDAC1HDAC6CA1

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 1 patent. 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