SCHEMBL4530685

SCHEMBL4530685

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
ZDHHC7 Q9NXF8 1/20 0.43
LAP3 P28838 2/20 0.42
TP53 P04637 1/20 0.42
DPP7 Q9UHL4 2/20 0.42
OPRM1 P35372 1/20 0.41
LMNA P02545 2/20 0.41
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
GPR84 Q9NQS5 3/20 0.39
SPHK1 Q9NYA1 1/20 0.39
FFAR1 O14842 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
SCHEMBL7596245 0.98 FAAH (0.50) FAAHCNR1CNR2GRIK1GRIK2
SCHEMBL4530691 0.91 GRIK1 (0.46) FAAHCNR1CNR2GRIK1GRIK2
SCHEMBL11586358 0.89 FAAH (0.46) FAAHCNR1CNR2GRIK1GRIK2
SCHEMBL11588398 0.89 FAAH (0.46) FAAHCNR1CNR2GRIK1GRIK2
SCHEMBL28997263 0.86 GRIK1 (0.47) FAAHCNR1CNR2GRIK1GRIK2
SCHEMBL5968350 0.86 LMNA (0.53) FAAHCNR1CNR2GRIK1GRIK2
SCHEMBL1289774 0.86 GRIK1 (0.47) FAAHCNR1CNR2GRIK1GRIK2
SCHEMBL4888408 0.85 LMNA (0.61) GRIK1GRIK2TP53LMNA
SCHEMBL7187985 0.85 LMNA (0.61) GRIK1GRIK2TP53LMNA
SCHEMBL5968282 0.85 LMNA (0.52) FAAHCNR1CNR2GRIK1GRIK2

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