SCHEMBL4789164

SCHEMBL4789164

CCC(CC)C(C)CC(N=C=O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL6056700 0.79 RNPEP (0.41) ALDH1A1CPA1
SCHEMBL7701831 0.79 RNPEP (0.41) ALDH1A1CPA1
SCHEMBL169398 0.78
SCHEMBL16412346 0.78
SCHEMBL11158578 0.78 CYP3A4 (0.31)
SCHEMBL28822953 0.77 RNPEP (0.31)
Water SCHEMBL27284531 0.77 RNPEP (0.40) ALDH1A1CPA1
Water SCHEMBL28103844 0.77 CA2 (0.31)
SCHEMBL8728129 0.75 CHRM1 (0.38) ACE2
SCHEMBL8728216 0.74

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008129188-A1 METHOD FOR THE DEPIGMENTATION OF KERATINOUS MATERIALS WITH THE HELP OF CARBAMATE COMPOUNDS OF VITAMIN C, AND USE OF SAID COMPOUNDS L'OREAL (FR) 2008-10-30 WO disclosed
WO-2008129189-A2 NOVEL CARBAMATE COMPOUNDS OF VITAMIN C, COMPOSITIONS COMPRISING THE SAME, AND USES THEREOF L'OREAL (FR) 2008-10-30 WO disclosed