SCHEMBL7875829

SCHEMBL7875829

CCCCCCCCC=CCCCCCCCC(=O)NC(C)C(=O)O.[NaH]

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.86
SLC6A5 Q9Y345 2/20 0.81
SMN1; SMN2 Q16637 1/20 0.81
ASAH2 Q9NR71 1/20 0.59
LPAR3 Q9UBY5 1/20 0.56
EPHX2 P34913 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
BLM P54132 2/20 0.56
KCNK3 O14649 1/20 0.56
THRB P10828 1/20 0.56
CNR2 P34972 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
GMNN O75496 1/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.56

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
SCHEMBL8146028 1.00 FAAH (0.86) FAAHSLC6A5SMN1; SMN2ASAH2LPAR3
SCHEMBL14857866 1.00 FAAH (0.86) FAAHSLC6A5SMN1; SMN2ASAH2LPAR3
SCHEMBL1854806 0.98 FAAH (0.89) FAAHSLC6A5SMN1; SMN2ASAH2LPAR3
SCHEMBL1425249 0.98 FAAH (0.89) FAAHSLC6A5SMN1; SMN2ASAH2LPAR3
SCHEMBL31027022 0.98 FAAH (0.89) FAAHSLC6A5SMN1; SMN2ASAH2LPAR3
SCHEMBL9652475 0.98 FAAH (0.89) FAAHSLC6A5SMN1; SMN2ASAH2LPAR3
SCHEMBL1425246 0.98 FAAH (0.89) FAAHSLC6A5SMN1; SMN2ASAH2LPAR3
SCHEMBL1854805 0.98 FAAH (0.89) FAAHSLC6A5SMN1; SMN2ASAH2LPAR3
SCHEMBL1854802 0.98 FAAH (0.89) FAAHSLC6A5SMN1; SMN2ASAH2LPAR3
SCHEMBL9652482 0.98 FAAH (0.89) FAAHSLC6A5SMN1; SMN2ASAH2LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323166-B1 SHAMPOO COMPRISING ESSENTIAL OIL COMPONENT SELECTED FROM PINENES, LIMONENES AND TERPINENES, N-ACYLAMINO ACID SALT AND SUCROSE FATTY ACID ESTER OR FATTY ACID ALKANOLAMIDE Kamiya, Akira (JP) 2001-11-27 US disclosed
US-6136778-A COMPRISING ESSENTIAL OIL, SURFACTANT, ENZYME KAMIYA, AKIRA (JP) 2000-10-24 US disclosed