SCHEMBL6137933

SCHEMBL6137933

COc1cc(C(=O)N[C@@H](C)C(=O)O)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
SLC22A6 Q4U2R8 1/20 0.57
SLC22A8 Q8TCC7 1/20 0.57
MEN1 O00255 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
BLM P54132 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TSHR P16473 1/20 0.54
CA2 P00918 3/20 0.51
CA1 P00915 2/20 0.51
PTPN7 P35236 2/20 0.51
DUSP3 P51452 2/20 0.51
GCGR P47871 2/20 0.51
HSD17B2 P37059 1/20 0.49
IARS1 P41252 1/20 0.48
CYP1A2 P05177 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48

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
SCHEMBL6137929 1.00 HTT (0.59) HTTSLC22A6SLC22A8MEN1RAB9A
SCHEMBL6138131 0.85 HTT (0.55) HTTSLC22A6SLC22A8MEN1RAB9A
SCHEMBL6138134 0.85 HTT (0.55) HTTSLC22A6SLC22A8MEN1RAB9A
SCHEMBL6137865 0.82 HTT (0.55) HTTSLC22A6SLC22A8MEN1RAB9A
SCHEMBL6137871 0.82 HTT (0.55) HTTSLC22A6SLC22A8MEN1RAB9A
SCHEMBL31099233 0.80 MAPK1 (0.66) MEN1KMT2A
SCHEMBL34461857 0.79 CA2 (0.55) HTTSLC22A6SLC22A8MEN1RAB9A
SCHEMBL1437123 0.78 SLC22A6 (0.68) HTTSLC22A6SLC22A8MEN1RAB9A
SCHEMBL5758000 0.78 MEN1 (0.68) HTTSLC22A6SLC22A8MEN1RAB9A
SCHEMBL28299473 0.78 CA2 (0.56) KMT2ACA2CA1

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