SCHEMBL5483393

SCHEMBL5483393

CCCCCCCCCCCCCCC(CCC)[C](CCC)CCCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
LMNA P02545 3/20 0.40
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
GPR84 Q9NQS5 3/20 0.36
FDPS P14324 3/20 0.36
SPHK1 Q9NYA1 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL5491671 0.94 CA2 (0.48) CA2LMNAGRIK1GRIK2FFAR1
SCHEMBL16098336 0.89 CA2 (0.48) CA2LMNAGRIK1GRIK2FFAR1
SCHEMBL16099413 0.89 CA2 (0.48) CA2LMNAGRIK1GRIK2FFAR1
SCHEMBL16099767 0.89 CA2 (0.48) CA2LMNAGRIK1GRIK2FFAR1
SCHEMBL6890333 0.89 CA2 (0.52) CA2LMNAGRIK1GRIK2FFAR1
SCHEMBL16097848 0.89 CA2 (0.47) CA2LMNAGRIK1GRIK2FFAR1
SCHEMBL2417410 0.89 CA2 (0.52) CA2LMNAGRIK1GRIK2FFAR1
SCHEMBL16098322 0.89 CA2 (0.47) CA2LMNAGRIK1GRIK2FFAR1
SCHEMBL2493650 0.89 CA2 (0.42) CA2LMNAGRIK1GRIK2FFAR1
SCHEMBL4536526 0.89 CA2 (0.52) 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