SCHEMBL1009938

SCHEMBL1009938

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.47
ACACA Q13085 1/20 0.47
MAPT P10636 2/20 0.37
FFAR1 O14842 2/20 0.36
CPT2 P23786 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACLY P53396 1/20 0.36
ARG1 P05089 3/20 0.32
ARG2 P78540 2/20 0.32
ODC1 P11926 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
BLM P54132 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR84 Q9NQS5 3/20 0.31
HSPD1 P10809 1/20 0.30
HSPE1 P61604 1/20 0.30

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
SCHEMBL1890992 0.84 ACACB (0.35) ACACBACACAMAPTODC1BLM
SCHEMBL1010543 0.82 ACACB (0.53) ACACBACACAMAPTFFAR1CPT2
SCHEMBL526121 0.75 FFAR1 (0.41) ACACBACACAMAPTFFAR1CPT2
SCHEMBL29496308 0.75 FFAR1 (0.41) ACACBACACAMAPTFFAR1CPT2
SCHEMBL22268722 0.74 ACACB (0.33) ACACBACACA
SCHEMBL5474459 0.73 ALDH1A1 (0.42) ACACBACACAFFAR1CPT2TDP1
SCHEMBL1010557 0.73 ACACB (0.40) ACACBACACAFFAR1CPT2TDP1
SCHEMBL5859353 0.73 GGPS1 (0.50) FFAR1TDP1GPR84
SCHEMBL10339977 0.73 GGPS1 (0.50) FFAR1TDP1GPR84
SCHEMBL337569 0.73 GGPS1 (0.50) FFAR1TDP1GPR84

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