SCHEMBL7478982

SCHEMBL7478982

COc1ccc(C(=O)C(=O)Cl)c(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PDE4D Q08499 2/20 0.49
TUBB1 Q9H4B7 3/20 0.46
MCL1 Q07820 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
PKM P14618 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ABCG2 Q9UNQ0 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
SCHEMBL222062 0.85 MAPT (0.55) MAPTTDP1PDE4DTUBB1MCL1
SCHEMBL7469868 0.83 MAPT (0.58) MAPTTDP1PDE4DTUBB1MCL1
SCHEMBL4299425 0.80 MAPT (0.48) MAPTTDP1PDE4DTUBB1MCL1
SCHEMBL9726919 0.80 MAPT (0.58) MAPTTDP1PDE4DTUBB1MCL1
SCHEMBL5159190 0.79 MAPT (0.62) MAPTTDP1PDE4DTUBB1MCL1
SCHEMBL4913002 0.79 MAPT (0.56) MAPTTDP1PDE4DTUBB1MCL1
SCHEMBL30069060 0.79 ALDH1A1 (0.59) MAPTTDP1PDE4DTUBB1MCL1
SCHEMBL1421887 0.79 ALDH1A1 (0.59) MAPTTDP1PDE4DTUBB1MCL1
SCHEMBL102827 0.79 MAPT (0.72) MAPTTDP1PDE4DTUBB1MEN1
SCHEMBL6932185 0.77 MAPT (0.51) MAPTTDP1PDE4DTUBB1MCL1

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-1226139-A2 CYCLIZED AMIDE DERIVATIVES FOR TREATING OR PREVENTING NEURONAL DAMAGE Vertex Pharmaceuticals Incorporated (US) 2002-07-31 EP disclosed
WO-2001002358-A2 CYCLIZED AMIDE DERIVATIVES FOR TREATING OR PREVENTING NEURONAL DAMAGE VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-01-11 WO disclosed