SCHEMBL1009937

SCHEMBL1009937

COC(=O)C(C)(CCCCCCCCCCCF)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.34
CPT2 P23786 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACLY P53396 1/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
HTT P42858 1/20 0.31
ODC1 P11926 1/20 0.31
DGAT1 O75907 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
SCHEMBL13477323 0.91 CYP4F2 (0.34) FFAR1CPT2TDP1CYP4F2CYP4A11
SCHEMBL29496308 0.85 FFAR1 (0.41) FFAR1CPT2TDP1ACLYACACB
SCHEMBL526121 0.85 FFAR1 (0.41) FFAR1CPT2TDP1ACLYACACB
SCHEMBL1010541 0.84 CYP4F2 (0.47) FFAR1CPT2TDP1ACLYACACB
SCHEMBL527050 0.82 FFAR1 (0.38) FFAR1CPT2TDP1ACLYACACB
SCHEMBL18987409 0.81 MEN1 (0.40) FFAR1TDP1
SCHEMBL1012264 0.78 MAPT (0.42) FFAR1CPT2TDP1ACLYACACB
SCHEMBL3192678 0.76 ODC1 (0.39) FFAR1CPT2TDP1ACLYACACB
SCHEMBL8654541 0.76 MEN1 (0.37) HTT
SCHEMBL1010556 0.76 KDM4E (0.46) FFAR1CPT2TDP1ACLY

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
EP-2268319-A2 PRECURSORS OF LIPID METABOLISM FOR THE DIAGNOSIS AND TREATMENT OF CANCER Universität Ulm (DE) 2011-01-05 EP disclosed
WO-2009109798-A2 PRECURSORS OF LIPID METABOLISM FOR THE DIAGNOSIS AND TREATMENT OF CANCER UNIVERSITÄT ULM (DE) 2009-09-11 WO disclosed