SCHEMBL8976019

SCHEMBL8976019

CCNC(CCCS)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 7/20 0.35
MMP9 P14780 3/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
FOLH1 Q04609 2/20 0.32
TLR8 Q9NR97 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
ENPEP Q07075 1/20 0.31
NOD1 Q9Y239 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
SCHEMBL8975718 0.93 MMP3 (0.39) MMP3MMP9CA1CA2FOLH1
SCHEMBL8975813 0.88 MMP3 (0.33) MMP3MMP9CA1CA2ENPEP
SCHEMBL19475787 0.84 CA2 (0.50) MMP3MMP9CA1CA2TLR8
Hydrochloric Acid SCHEMBL8527464 0.81 FOLH1 (0.38) CA1CA2FOLH1TLR8
SCHEMBL15834023 0.81 FOLH1 (0.45) CA1FOLH1
SCHEMBL31520085 0.81 MMP3 (0.44) MMP3MMP9CA1CA2NOD1
SCHEMBL31520094 0.81 MMP3 (0.44) MMP3MMP9CA1CA2NOD1
SCHEMBL8976379 0.80 FOLH1 (0.34) CA1CA2FOLH1HDAC4HDAC1
SCHEMBL24040349 0.79 CA1 (0.39) MMP3MMP9CA1CA2TLR8
SCHEMBL11114567 0.79

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