SCHEMBL6137865

SCHEMBL6137865

COc1cc(C(=O)NC(CO)C(=O)O)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
CA2 P00918 3/20 0.53
CA1 P00915 2/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
SLC22A8 Q8TCC7 1/20 0.53
MEN1 O00255 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
HSD17B2 P37059 1/20 0.49
FOLH1 Q04609 1/20 0.48
GCGR P47871 1/20 0.48
PTPN7 P35236 1/20 0.48
DUSP3 P51452 1/20 0.48
BLM P54132 2/20 0.48
CYP1A2 P05177 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
PDE5A O76074 1/20 0.47

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
SCHEMBL6137871 1.00 HTT (0.55) HTTCA2CA1SLC22A6SLC22A8
SCHEMBL34461857 0.86 CA2 (0.55) HTTCA2CA1SLC22A6SLC22A8
SCHEMBL28299473 0.85 CA2 (0.56) CA2CA1KMT2A
SCHEMBL18334878 0.84 MME (0.60) HTTCA2CA1FOLH1PTPN7
SCHEMBL5282429 0.84 CA2 (0.58) HTTCA2CA1SLC22A6SLC22A8
SCHEMBL5282439 0.84 CA2 (0.58) HTTCA2CA1SLC22A6SLC22A8
SCHEMBL27601810 0.82 MAPK1 (0.61) MEN1KMT2APOLB
SCHEMBL27601811 0.82 MAPK1 (0.61) MEN1KMT2APOLB
SCHEMBL6137929 0.82 HTT (0.59) HTTCA2CA1SLC22A6SLC22A8
SCHEMBL6137933 0.82 HTT (0.59) HTTCA2CA1SLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047391-A4 ALPHA-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2005-01-19 EP claimed
US-6238655-B1 USEFUL IN THE FORMULATION OF DEODORANTS, ANTIPERSPIRANTS, BODY SPRAYS, AND OTHER SKIN TREATMENT COMPOSITIONS. THE GILLETTE COMPANY 2001-05-29 US claimed
EP-1047391-A1 ALPHA-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 2000-11-02 EP claimed
WO-1999030679-A1 α-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 1999-06-24 WO claimed
EP-1047391-A4 ALPHA-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2005-01-19 EP disclosed
US-6238655-B1 USEFUL IN THE FORMULATION OF DEODORANTS, ANTIPERSPIRANTS, BODY SPRAYS, AND OTHER SKIN TREATMENT COMPOSITIONS. THE GILLETTE COMPANY 2001-05-29 US disclosed
EP-1047391-A1 ALPHA-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 2000-11-02 EP disclosed
WO-1999030679-A1 α-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 1999-06-24 WO disclosed