SCHEMBL16795672

SCHEMBL16795672

CC1(C)OB(c2cccc(COc3ccc(F)cc3)c2)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.51
LIPG Q9Y5X9 2/20 0.51
DGAT1 O75907 1/20 0.51
MAOB P27338 14/20 0.46
TDP2 O95551 1/20 0.45
NR4A2 P43354 1/20 0.42
PARP10 Q53GL7 1/20 0.41

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
SCHEMBL16795680 0.90 LIPG (0.51) LPLLIPGDGAT1MAOBTDP2
SCHEMBL16795684 0.88 MAOB (0.53) LPLLIPGDGAT1MAOBNR4A2
SCHEMBL21234489 0.88 LPL (0.52) LPLLIPGDGAT1MAOBTDP2
SCHEMBL16795621 0.88 DGAT1 (0.57) LPLLIPGDGAT1MAOBTDP2
SCHEMBL4659420 0.87 MAOB (0.56) LPLLIPGDGAT1MAOBNR4A2
SCHEMBL21221831 0.87 MAOB (0.52) LPLLIPGDGAT1MAOBTDP2
SCHEMBL21234488 0.87 LPL (0.54) LPLLIPGDGAT1MAOBTDP2
SCHEMBL4659527 0.86 MAOB (0.57) LPLLIPGDGAT1MAOBNR4A2
SCHEMBL22290582 0.84 LIPG (0.51) LPLLIPGDGAT1MAOBTDP2
SCHEMBL21568905 0.83 LPL (0.59) LPLLIPGDGAT1MAOBNR4A2

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
WO-2015087094-A1 NEW ARYLALKENYLPROPARGYLAMINE DERIVATIVES EXHIBITING NEUROPROTECTIVE ACTION FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SEMMELWEIS EGYETEM (HU) 2015-06-18 WO disclosed