SCHEMBL4530691

SCHEMBL4530691

CCCCCC(N)OC(=O)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
FAAH O00519 4/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
GPR84 Q9NQS5 7/20 0.42
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
SLC1A3 P43003 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL4530685 0.91 FAAH (0.47) GRIK1GRIK2SLC1A2SLC1A1FAAH
SCHEMBL7596245 0.89 FAAH (0.50) GRIK1GRIK2SLC1A2SLC1A1FAAH
SCHEMBL5804273 0.84 FFAR4 (0.47) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL11586358 0.84 FAAH (0.46) GRIK1GRIK2SLC1A2SLC1A1FAAH
SCHEMBL11588398 0.84 FAAH (0.46) GRIK1GRIK2SLC1A2SLC1A1FAAH
SCHEMBL283502 0.83 FFAR4 (0.50) GRIK1GRIK2GPR84FFAR1FFAR4
SCHEMBL1289774 0.81 GRIK1 (0.47) GRIK1GRIK2SLC1A2SLC1A1FAAH
SCHEMBL27884281 0.81 FAAH (0.46) FAAHCNR1CNR2GPR84FFAR1
SCHEMBL28997263 0.81 GRIK1 (0.47) GRIK1GRIK2SLC1A2SLC1A1FAAH
SCHEMBL5968350 0.81 LMNA (0.53) GRIK1GRIK2SLC1A2SLC1A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507764-B2 Amphiphilic [5:1]- and [3:3]- hexakisadducts of fullerenes TEGO BIOSCIENCES CORPORATION (US) 2009-03-24 US disclosed
US-20050143327-A1 Amphiphilic [5:1]- and [3:3]- hexakisadducts of fullerenes LUNA LABS USA, LLC 2005-06-30 US disclosed
WO-2005037711-A1 AMPHIPHILIC [5:1]- AND [3:3]- HEXAKISADDUCTS OF FULLERENES C SIXTY INC. (US) 2005-04-28 WO disclosed