SCHEMBL5491671

SCHEMBL5491671

CCCCCCCCCCCCCCC(CCCC)[C](CCC)CCCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.48
LMNA P02545 1/20 0.41
DNM1 Q05193 2/20 0.41
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
MAPK1 P28482 1/20 0.39
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
FDPS P14324 4/20 0.38
GPR84 Q9NQS5 3/20 0.38
CA1 P00915 1/20 0.38
SPHK1 Q9NYA1 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
SCHEMBL16099767 0.96 CA2 (0.48) CA2LMNADNM1GRIK1GRIK2
SCHEMBL16099413 0.96 CA2 (0.48) CA2LMNADNM1GRIK1GRIK2
SCHEMBL16098336 0.96 CA2 (0.48) CA2LMNADNM1GRIK1GRIK2
SCHEMBL4537716 0.96 CA2 (0.52) CA2LMNADNM1GRIK1GRIK2
SCHEMBL6890333 0.96 CA2 (0.52) CA2LMNADNM1GRIK1GRIK2
SCHEMBL4536526 0.96 CA2 (0.52) CA2LMNADNM1GRIK1GRIK2
SCHEMBL2417410 0.96 CA2 (0.52) CA2LMNADNM1GRIK1GRIK2
SCHEMBL5080549 0.96 CA2 (0.52) CA2LMNADNM1GRIK1GRIK2
SCHEMBL16055986 0.96 CA2 (0.52) CA2LMNADNM1GRIK1GRIK2
SCHEMBL5483393 0.94 CA2 (0.42) CA2LMNAGRIK1GRIK2FFAR1

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
US-7264653-B2 Methods for inhibiting hydrate blockage in oil and gas pipelines using simple quaternary ammonium and phosphonium compounds CHAMPION TECHNOLOGIES, INC. (US) 2007-09-04 US disclosed
US-20050081714-A1 Methods for inhibiting hydrate blockage in oil and gas pipelines using simple quaternary ammonium and phosphonium compounds HARBISON-FISCHER, INC. 2005-04-21 US disclosed