SCHEMBL1010543

SCHEMBL1010543

CC(O)CCCCCCCCCCC(C)(C(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.53
ACACA Q13085 1/20 0.53
FFAR1 O14842 3/20 0.38
CPT2 P23786 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ACLY P53396 1/20 0.37
GPR84 Q9NQS5 7/20 0.35
ARG1 P05089 2/20 0.33
ARG2 P78540 2/20 0.33
FFAR4 Q5NUL3 1/20 0.32
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL1009938 0.82 ACACB (0.47) ACACBACACAFFAR1CPT2TDP1
SCHEMBL22028557 0.79 ACACB (0.47) ACACBACACAFFAR1CPT2TDP1
SCHEMBL20550429 0.77 ACACB (0.44) ACACBACACAFFAR1CPT2TDP1
SCHEMBL27277421 0.76 ACACB (0.42) ACACBACACAFFAR1CPT2TDP1
SCHEMBL8895644 0.76 ACACB (0.42) ACACBACACAFFAR1CPT2TDP1
SCHEMBL10925030 0.76 ACACB (0.42) ACACBACACAFFAR1CPT2TDP1
SCHEMBL9717472 0.76 ACACB (0.42) ACACBACACAFFAR1CPT2TDP1
SCHEMBL27574599 0.76 ACACB (0.42) ACACBACACAFFAR1CPT2TDP1
SCHEMBL1658040 0.76 ACACB (0.42) ACACBACACAFFAR1CPT2TDP1
SCHEMBL5474459 0.75 ALDH1A1 (0.42) ACACBACACAFFAR1CPT2TDP1

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