SCHEMBL8158607

SCHEMBL8158607

CCCC/C=C\CCCCCCCCN1CCCCOC1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.43
FAAH O00519 2/20 0.43
PIK3CD O00329 1/20 0.41
NAAA Q02083 1/20 0.38
LPAR1 Q92633 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35

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 0.96 PIK3CD (0.45) MGLLFAAHPIK3CDNAAAALDH1A1
SCHEMBL8157101 0.90 FAAH (0.47) MGLLFAAHNAAALPAR1LPAR2
SCHEMBL8516440 0.82 PIK3CD (0.54) MGLLFAAHPIK3CDNAAAALDH1A1
SCHEMBL8157458 0.81 PIK3CD (0.41) FAAHPIK3CDLPAR2LPAR3
SCHEMBL8327577 0.81 MGLL (0.47) MGLLFAAH
SCHEMBL8391424 0.78 PIK3CD (0.46) PIK3CDTSHR
SCHEMBL8325462 0.78 MGLL (0.51) MGLLFAAH
SCHEMBL8322986 0.78 MGLL (0.51) MGLLFAAH
SCHEMBL8918714 0.78 MGLL (0.46) MGLLFAAHNAAA
SCHEMBL8158609 0.77 NAAA (0.64) FAAHNAAA

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