SCHEMBL1010541

SCHEMBL1010541

COC(=O)C(C)(CCCCCCCCCCCO)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.47
CYP4A11 Q02928 5/20 0.47
TDP1 Q9NUW8 2/20 0.40
FFAR1 O14842 2/20 0.35
CPT2 P23786 1/20 0.35
ACLY P53396 1/20 0.35
ARG2 P78540 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
PPARA Q07869 1/20 0.32
HTT P42858 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
DGAT1 O75907 1/20 0.31
ACHE P22303 4/20 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
SCHEMBL31280241 0.84 CYP4F2 (0.47) CYP4F2CYP4A11TDP1FFAR1CPT2
SCHEMBL31279936 0.84 CYP4F2 (0.47) CYP4F2CYP4A11TDP1FFAR1CPT2
SCHEMBL1009937 0.84 FFAR1 (0.34) CYP4F2CYP4A11TDP1FFAR1CPT2
SCHEMBL18987409 0.83 MEN1 (0.40) TDP1FFAR1GPR84FFAR4PPARA
SCHEMBL31280022 0.82 CYP4F2 (0.44) CYP4F2CYP4A11TDP1FFAR1CPT2
SCHEMBL1012264 0.80 MAPT (0.42) TDP1FFAR1CPT2ACLYACACB
SCHEMBL28133882 0.80 CYP4F2 (0.41) CYP4F2CYP4A11TDP1FFAR1CPT2
SCHEMBL1010556 0.77 KDM4E (0.46) TDP1FFAR1CPT2ACLYFNTA
SCHEMBL8654541 0.77 MEN1 (0.37) HTT
SCHEMBL4581998 0.77 MEN1 (0.37) HTT

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