SCHEMBL8070653

SCHEMBL8070653

CCOC(=O)C(O)(CO)CCCCCCOc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PPARA Q07869 1/20 0.44
LTA4H P09960 1/20 0.44
FDPS P14324 1/20 0.43
KCNA3 P22001 1/20 0.43
RECQL P46063 1/20 0.43
FAAH O00519 4/20 0.42

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
SCHEMBL8070393 0.87 ABCB11 (0.51) MAPTPPARAFDPS
SCHEMBL8712663 0.84 HDAC1 (0.51) HDAC1HDAC2PPARAFDPSKCNA3
SCHEMBL8070650 0.83 L3MBTL1 (0.45) TDP1GAARECQL
SCHEMBL11656460 0.82 TDP1 (0.55) TDP1HDAC1HDAC2NPC1GAA
SCHEMBL7571528 0.81 DRD2 (0.41) TDP1HDAC1HDAC2NPC1GAA
SCHEMBL9375026 0.79 TDP1 (0.55) TDP1NPC1GAAMAPTRAB9A
SCHEMBL7368880 0.77 TDP1 (0.55) TDP1NPC1GAAMAPTRAB9A
SCHEMBL28729068 0.76 TDP1 (0.55) TDP1HDAC1HDAC2NPC1GAA
SCHEMBL8074868 0.75 TBXAS1 (0.47) TDP1SMN1; SMN2
SCHEMBL8851808 0.74 LTA4H (0.57) SMN1; SMN2LTA4HKCNA3FAAH

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030993-A INHIBITORS OF CARNITINE PALMITOYL TRANSFERASE; ANTIDIABETIC,-LIPEMIC AND HYPOGLYCEMIC AGENTS; SIDE EFFECT REDUCTION SANG SUP JEW (KR) 2000-02-29 US disclosed