SCHEMBL1012264

SCHEMBL1012264

C#CCCCCCCCCCCCC(C)(C(=O)O)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
CYP3A4 P08684 4/20 0.33
USP2 O75604 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
ACLY P53396 1/20 0.32
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACACB O00763 1/20 0.31

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
SCHEMBL1010541 0.80 CYP4F2 (0.47) ACLYFFAR1CPT2TDP1ACACB
SCHEMBL18850771 0.79 MAPT (0.39) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9256362 0.79 CYP2D6 (0.43) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1009937 0.78 FFAR1 (0.34) ACLYFFAR1CPT2TDP1ACACB
SCHEMBL18987409 0.78 MEN1 (0.40) MAPTHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL20021228 0.77 MAPT (0.44) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9216534 0.74 CYP4F2 (0.37) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL602186 0.73 ARG1 (0.53) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL600737 0.73 ARG1 (0.53) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL600736 0.73 ARG1 (0.53) MAPTCYP1A2CYP2D6CYP2C9CYP2C19

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
EP-2268319-A2 PRECURSORS OF LIPID METABOLISM FOR THE DIAGNOSIS AND TREATMENT OF CANCER Universität Ulm (DE) 2011-01-05 EP disclosed