SCHEMBL6138013

SCHEMBL6138013

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.58
GPR88 Q9GZN0 5/20 0.47
GRM7 Q14831 2/20 0.46
POLB P06746 1/20 0.46
PTGS2 P35354 1/20 0.44
CA2 P00918 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA1 P00915 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6312850 0.88 MME (0.66) MMEGPR88GRM7POLBPTGS2
SCHEMBL9830809 0.86 MME (0.55) MMEPOLBLMNAMEN1KMT2A
SCHEMBL9830812 0.86 MME (0.55) MMEPOLBLMNAMEN1KMT2A
SCHEMBL9559761 0.82 GRM7 (0.51) MMEGPR88GRM7POLBPTGS2
SCHEMBL4156225 0.80 MME (0.64) MMEGPR88GRM7POLBLMNA
SCHEMBL18885406 0.80 GPR88 (0.53) MMEGPR88GRM7POLBPTGS2
SCHEMBL8016181 0.80 GPR88 (0.53) MMEGPR88GRM7POLBPTGS2
SCHEMBL14135235 0.78 MEN1 (0.66) GRM7POLBLMNAMEN1KMT2A
SCHEMBL5743468 0.77 MME (0.50) MMEPOLBMEN1KMT2A
SCHEMBL5743477 0.77 MME (0.50) MMEMEN1KMT2A

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 5 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
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