SCHEMBL1009847

SCHEMBL1009847

O=C(O)C(CCCCCCCCCCCCF)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
GSR P00390 1/20 0.39
TBXAS1 P24557 1/20 0.39
CPB2 Q96IY4 4/20 0.39
GPR84 Q9NQS5 3/20 0.38
RNPEP Q9H4A4 1/20 0.38
FFAR1 O14842 1/20 0.38
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
ENPEP Q07075 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
FOLH1 Q04609 1/20 0.33
GABRR1 P24046 2/20 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
SCHEMBL1010539 1.00 MAPT (0.41) MAPTGSRTBXAS1CPB2GPR84
SCHEMBL21073899 0.86 GPR84 (0.46) MAPTGSRTBXAS1CPB2GPR84
SCHEMBL9009694 0.86 GPR84 (0.46) MAPTGSRTBXAS1CPB2GPR84
SCHEMBL30018402 0.86 GPR84 (0.46) MAPTGSRTBXAS1CPB2GPR84
SCHEMBL30018584 0.86 GPR84 (0.46) MAPTGSRTBXAS1CPB2GPR84
SCHEMBL28261795 0.86 GPR84 (0.46) MAPTGSRTBXAS1CPB2GPR84
SCHEMBL3613866 0.86 GPR84 (0.46) MAPTGSRTBXAS1CPB2GPR84
SCHEMBL12851496 0.83 GSR (0.43) MAPTGSRTBXAS1GPR84RNPEP
SCHEMBL15319080 0.83 MAPT (0.34) MAPTGSRTBXAS1CPB2GPR84
SCHEMBL6944529 0.80 MAPT (0.65) MAPTGSRCPB2GPR84RNPEP

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