SCHEMBL11244094

SCHEMBL11244094

CCCCCCC(CCCO)C(=O)ON

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.46
GRIK1 P39086 2/20 0.45
GRIK2 Q13002 2/20 0.45
ZDHHC7 Q9NXF8 1/20 0.43
PTPN1 P18031 1/20 0.43
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
CA1 P00915 2/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
GPR84 Q9NQS5 3/20 0.40
PSMD14 O00487 2/20 0.40
PLA2G1B P04054 2/20 0.40
MMP2 P08253 2/20 0.40
ATG4B Q9Y4P1 2/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL11247190 1.00 CA2 (0.46) CA2GRIK1GRIK2ZDHHC7PTPN1
SCHEMBL11239112 1.00 CA2 (0.46) CA2GRIK1GRIK2ZDHHC7PTPN1
SCHEMBL3450924 0.93 CA2 (0.48) CA2GRIK1GRIK2ZDHHC7SLC1A2
SCHEMBL4366761 0.86 CPB2 (0.50) CA2GRIK1GRIK2ZDHHC7SLC1A2
SCHEMBL11420394 0.85 CA2 (0.58) CA2GRIK1GRIK2ZDHHC7SLC1A2
SCHEMBL29292341 0.85 CA2 (0.58) CA2GRIK1GRIK2ZDHHC7SLC1A2
SCHEMBL9491884 0.85 CA2 (0.58) CA2GRIK1GRIK2ZDHHC7SLC1A2
SCHEMBL9028333 0.85 CA2 (0.55) CA2GRIK1GRIK2ZDHHC7SLC1A2
SCHEMBL11302611 0.84 CPB2 (0.51) CA2GRIK1GRIK2ZDHHC7PTPN1
SCHEMBL6453991 0.84 CPB2 (0.51) CA2GRIK1GRIK2ZDHHC7PTPN1

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-4319987-A Branched alkyl ether amines as iron ore flotation aids EXXON RESEARCH & ENGINEERING CO. (US) 1982-03-16 US disclosed