SCHEMBL7536183

SCHEMBL7536183

CCCCCCCCCCOC(=O)CCC(CC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
DGKA P23743 1/20 0.44
HTR2C P28335 1/20 0.43
NOD1 Q9Y239 1/20 0.42
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
P2RY10 O00398 4/20 0.39
GPR34 Q9UPC5 2/20 0.39
FAAH O00519 1/20 0.38
DNM1 Q05193 1/20 0.38
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL18675750 0.86 DGKA (0.57) NAAADGKAHTR2CNOD1PRSS1
SCHEMBL7075183 0.86 GRIK1 (0.50) GRIK1GRIK2CA2MAPK1
SCHEMBL8217020 0.86 GRIK1 (0.50) GRIK1GRIK2CA2MAPK1
SCHEMBL7066300 0.86 GRIK1 (0.50) GRIK1GRIK2CA2MAPK1
SCHEMBL7304504 0.86 GRIK1 (0.50) GRIK1GRIK2CA2MAPK1
SCHEMBL6808467 0.86 GRIK1 (0.50) GRIK1GRIK2CA2MAPK1
SCHEMBL7069281 0.86 GRIK1 (0.50) GRIK1GRIK2CA2MAPK1
SCHEMBL8217023 0.86 GRIK1 (0.50) GRIK1GRIK2CA2MAPK1
SCHEMBL6138155 0.86 GRIK1 (0.50) GRIK1GRIK2CA2MAPK1
SCHEMBL27573982 0.86 GRIK1 (0.50) GRIK1GRIK2CA2MAPK1

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
WO-2002028438-A1 LIPOPEPTIDES AS ABSORPTION ENHANCERS FOR BIOACTIVE COMPOUNDS KING'S COLLEGE LONDON (GB) 2002-04-11 WO claimed
WO-2002028438-A1 LIPOPEPTIDES AS ABSORPTION ENHANCERS FOR BIOACTIVE COMPOUNDS KING'S COLLEGE LONDON (GB) 2002-04-11 WO disclosed