SCHEMBL5282439

SCHEMBL5282439

COc1cc(C(=O)NC(CCC(N)=O)C(=O)O)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.58
CA1 P00915 4/20 0.58
HTT P42858 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
FOLH1 Q04609 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
GART P22102 1/20 0.45
MARS1 P56192 1/20 0.45
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
MMP2 P08253 1/20 0.45
IARS1 P41252 1/20 0.44
GCGR P47871 1/20 0.44
HSD17B2 P37059 1/20 0.44

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
SCHEMBL5282429 1.00 CA2 (0.58) CA2CA1HTTSLC22A6SLC22A8
SCHEMBL34461857 0.90 CA2 (0.55) CA2CA1HTTSLC22A6SLC22A8
SCHEMBL11875072 0.84 MAPK1 (0.54) CA2CA1MEN1KMT2AMMP2
SCHEMBL6137871 0.84 HTT (0.55) CA2CA1HTTSLC22A6SLC22A8
SCHEMBL6137865 0.84 HTT (0.55) CA2CA1HTTSLC22A6SLC22A8
SCHEMBL2245033 0.82 CA2 (0.51) CA2CA1KMT2AMRGPRX4MMP2
SCHEMBL28299473 0.80 CA2 (0.56) CA2CA1KMT2A
SCHEMBL18334878 0.79 MME (0.60) CA2CA1HTTFOLH1MRGPRX4
SCHEMBL3822939 0.78 CA2 (0.71) CA2CA1KMT2AFOLH1
SCHEMBL27520712 0.78 CA2 (0.71) CA2CA1KMT2AFOLH1

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 10 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
US-5932198-A α-amides of L-amino acids as fragrance precursors THE GILLETTE COMPANY (US) 1999-08-03 US claimed
WO-1999030680-A1 α-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 1999-06-24 WO claimed
EP-1052968-B1 ALPHA-AMIDES OF(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2007-12-05 EP disclosed
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
US-5932198-A α-amides of L-amino acids as fragrance precursors THE GILLETTE COMPANY (US) 1999-08-03 US disclosed
WO-1999030680-A1 α-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 1999-06-24 WO disclosed