SCHEMBL5283204

SCHEMBL5283204

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
MME P08473 7/20 0.52
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
NAALAD2 Q9Y3Q0 1/20 0.48
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
GPR88 Q9GZN0 2/20 0.46
ACE P12821 1/20 0.45
PRSS1 P07477 2/20 0.44
TMPRSS15 P98073 2/20 0.44
ECE1 P42892 1/20 0.44
C3AR1 Q16581 1/20 0.43

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
SCHEMBL9732144 0.88 NAALAD2 (0.61) MMENAALAD2ACE
SCHEMBL24045914 0.85 CXCR1 (0.55) C3AR1
SCHEMBL5285091 0.85 ECE1 (0.52) MMECA2CA1GPR88ACE
SCHEMBL7374278 0.84 MME (0.71) MMEGPR88
SCHEMBL18493709 0.84 MME (0.56) MMEGPR88ACE
SCHEMBL402068 0.83 KMT2A (0.53) KMT2AMMEMMP2MMP9NAALAD2
SCHEMBL6426081 0.83 KMT2A (0.56) KMT2AMMEMMP2MMP9NAALAD2
SCHEMBL31294614 0.81 NAALAD2 (0.53) MMENAALAD2
SCHEMBL31294222 0.81 NAALAD2 (0.53) MMENAALAD2
SCHEMBL6138235 0.80 MME (0.56) MMEGPR88

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 7 patents. 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
EP-1052968-A4 $g(a)-AMIDES OF $i(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2004-09-15 EP claimed
EP-1052968-A1 $g(a)-AMIDES OF $i(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 2000-11-22 EP claimed
WO-1999030680-A1 α-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 1999-06-24 WO claimed
EP-1052968-A4 $g(a)-AMIDES OF $i(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2004-09-15 EP disclosed
EP-1052968-A1 $g(a)-AMIDES OF $i(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 2000-11-22 EP disclosed
WO-1999030680-A1 α-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 1999-06-24 WO disclosed