SCHEMBL6736019

SCHEMBL6736019

CCCCCCCCCCCCCCCCC(CC1CO1)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.44
ALDH1A1 P00352 3/20 0.41
CA2 P00918 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.38
PRKCD Q05655 2/20 0.38
TSHR P16473 1/20 0.37
CA1 P00915 1/20 0.37
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 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
SCHEMBL27982261 1.00 CPB2 (0.44) CPB2ALDH1A1CA2TDP1ZDHHC7
SCHEMBL28049939 0.94 CA2 (0.42) CPB2ALDH1A1CA2CA1
SCHEMBL28018300 0.84 ALDH1A1 (0.51) ALDH1A1CA2TDP1ZDHHC7TSHR
SCHEMBL5998669 0.83 GRIK1 (0.50) ALDH1A1CA2GRIK1GRIK2
SCHEMBL11881768 0.83 GRIK1 (0.50) ALDH1A1CA2GRIK1GRIK2
SCHEMBL1922273 0.83 GRIK1 (0.50) ALDH1A1CA2GRIK1GRIK2
SCHEMBL28068461 0.83 GRIK1 (0.50) ALDH1A1CA2GRIK1GRIK2
SCHEMBL28737166 0.83 GRIK1 (0.50) ALDH1A1CA2GRIK1GRIK2
SCHEMBL929884 0.83 GRIK1 (0.50) ALDH1A1CA2GRIK1GRIK2
SCHEMBL929882 0.83 GRIK1 (0.50) ALDH1A1CA2GRIK1GRIK2

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-6683222-B2 NONIONIC SURFACTANT TAIYO KAGAKU CO., LTD. (JP) 2004-01-27 US disclosed
US-20020035238-A1 Polyether-polyol compound TAIYO KAGAKU CO., LTD. (JP) 2002-03-21 US disclosed