SCHEMBL7897145

SCHEMBL7897145

CCCCCCCCCCCCC(CC(N)=O)C(=O)N(CCCC)CCCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
CA1 P00915 3/20 0.41
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
GPR84 Q9NQS5 7/20 0.39
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
FFAR1 O14842 1/20 0.37
MAPT P10636 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36

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
SCHEMBL13003584 0.83 CA2 (0.50) CA2GRIK1GRIK2CA1SLC1A2
SCHEMBL8398001 0.82 CA2 (0.43) CA2GRIK1GRIK2CA1SLC1A2
SCHEMBL8398708 0.82 CA2 (0.43) CA2GRIK1GRIK2CA1SLC1A2
SCHEMBL8394140 0.82 CA2 (0.43) CA2GRIK1GRIK2CA1SLC1A2
SCHEMBL8394272 0.82 CA2 (0.43) CA2GRIK1GRIK2CA1SLC1A2
SCHEMBL8394202 0.82 CA2 (0.43) CA2GRIK1GRIK2CA1SLC1A2
SCHEMBL8399033 0.82 CA2 (0.43) CA2GRIK1GRIK2CA1SLC1A2
SCHEMBL8398680 0.82 CA2 (0.43) CA2GRIK1GRIK2CA1SLC1A2
SCHEMBL8398743 0.82 CA2 (0.43) CA2GRIK1GRIK2CA1SLC1A2
SCHEMBL8397769 0.82 CA2 (0.43) CA2GRIK1GRIK2CA1SLC1A2

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
CN-1395482-A Anti-microbial antiperspirant products UNILEVER NV (NL) 2003-02-05 CN claimed
US-6190678-B1 COMPRISES WATER INSOLUBLE SUBSTRATE, LATHERING SURFACTANT, AND A CONDITIONING COMPONENT; LATHERING AT LOW SURFACTANT LEVELS, CLEANSING AND EXFOLIATION, AND DELIVERY AND DEPOSITION OF CONDITIONING INGREDIENTS RESULT, THIS INVENTI THE PROCTER & GAMBLE COMPANY 2001-02-20 US disclosed