SCHEMBL5285091

SCHEMBL5285091

CC(C(=O)NC(CC(N)=O)C(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.52
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 0.51
MME P08473 7/20 0.50
ITGB2 P05107 2/20 0.50
ICAM1 P05362 2/20 0.50
ITGAL P20701 2/20 0.50
GPR88 Q9GZN0 1/20 0.46
MMP8 P22894 1/20 0.45
ACE P12821 1/20 0.45
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL5283204 0.85 KMT2A (0.56) ECE1MMEGPR88ACECA2
SCHEMBL1039530 0.84 ALDH1A1 (0.54) ECE1ALDH1A1RAB9AITGB2ICAM1
SCHEMBL6138235 0.83 MME (0.56) MMEGPR88
SCHEMBL10658511 0.80 GPR88 (0.53) MMEGPR88
SCHEMBL10658514 0.80 GPR88 (0.53) MMEGPR88
SCHEMBL5842741 0.80 MME (0.55) MMEGPR88
SCHEMBL18493709 0.80 MME (0.56) MMEGPR88ACE
SCHEMBL7374278 0.80 MME (0.71) MMEGPR88
SCHEMBL5842735 0.80 MME (0.55) MMEGPR88
SCHEMBL9732144 0.79 NAALAD2 (0.61) MMEACE

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-1052968-B1 ALPHA-AMIDES OF(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2007-12-05 EP claimed