SCHEMBL8157101

SCHEMBL8157101

CCCC/C=C\CCCCCCCCN1CCOC1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.47
MGLL Q99685 3/20 0.47
NAAA Q02083 1/20 0.43
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
NR1H2 P55055 1/20 0.36
PRKCA P17252 4/20 0.36

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
SCHEMBL8150832 0.91 PIK3CD (0.45) FAAHMGLLNAAAALDH1A1TSHR
SCHEMBL8158607 0.90 MGLL (0.43) FAAHMGLLNAAAALDH1A1TSHR
SCHEMBL9250191 0.87 NAAA (0.54) FAAHMGLLNAAAKDM4EALDH1A1
SCHEMBL419534 0.87 NAAA (0.54) FAAHMGLLNAAAKDM4EALDH1A1
SCHEMBL14184720 0.87 NAAA (0.54) FAAHMGLLNAAAKDM4EALDH1A1
SCHEMBL8512828 0.87 NAAA (0.54) FAAHMGLLNAAAKDM4EALDH1A1
SCHEMBL27992732 0.87 NAAA (0.54) FAAHMGLLNAAAKDM4EALDH1A1
SCHEMBL4860823 0.87 NAAA (0.54) FAAHMGLLNAAAKDM4EALDH1A1
SCHEMBL10337812 0.86 KDM4E (0.39) FAAHMGLLNAAAKDM4ETRPV1
SCHEMBL31308 0.85 NAAA (0.51) FAAHMGLLNAAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6086905-A Topical compositions useful as skin penetration barriers DISCOVERY THERAPEUTICS, INC. 2000-07-11 US disclosed