SCHEMBL8723456

SCHEMBL8723456

CC(C)CC(N)C(=O)N[P@](C)(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.58
MMP3 P08254 5/20 0.58
LARS1 Q9P2J5 5/20 0.56
MMP7 P09237 2/20 0.45
MMP9 P14780 2/20 0.45
MMP2 P08253 1/20 0.45
MMP8 P22894 1/20 0.45
AAK1 Q2M2I8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ANPEP P15144 2/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42
LAP3 P28838 1/20 0.41
SLC7A5 Q01650 1/20 0.41
LTA4H P09960 1/20 0.39

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
SCHEMBL8725721 1.00 MMP1 (0.58) MMP1MMP3LARS1MMP7MMP9
SCHEMBL8721568 0.77 MMP3 (0.59) MMP1MMP3MMP7MMP9MMP2
SCHEMBL7298409 0.74 LARS1 (0.56) LARS1AAK1ALDH1A1ANPEPRNPEP
SCHEMBL17822181 0.74 LARS1 (0.56) LARS1AAK1ALDH1A1ANPEPRNPEP
SCHEMBL7403305 0.73 MMP1 (1.00) MMP1MMP3MMP7MMP9MMP2
SCHEMBL7407555 0.73 MMP1 (1.00) MMP1MMP3MMP7MMP9MMP2
SCHEMBL7405291 0.73 MMP1 (1.00) MMP1MMP3MMP7MMP9MMP2
SCHEMBL7403306 0.73 MMP1 (1.00) MMP1MMP3MMP7MMP9MMP2
SCHEMBL7376207 0.73 AAK1 (0.64) LARS1AAK1ALDH1A1LTA4H
SCHEMBL7376209 0.73 AAK1 (0.64) LARS1AAK1ALDH1A1LTA4H

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
US-5830915-A ORAL DISEASES; SKIN DISORDERS; ANTIINFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1998-11-03 US disclosed