SCHEMBL4735680

SCHEMBL4735680

CC(C)(C)c1ccc(OC(=O)c2cc(O)c(O)c(O)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
TDP1 Q9NUW8 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
NSD2 O96028 1/20 0.63
PRSS1 P07477 1/20 0.57
ACR P10323 1/20 0.57
ALDH1A1 P00352 1/20 0.55
THRB P10828 1/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SERPINE1 P05121 3/20 0.51
NPSR1 Q6W5P4 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
POLB P06746 3/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
NFKB1 P19838 1/20 0.49
XDH P47989 1/20 0.49

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
SCHEMBL9967350 0.90 NSD2 (0.63) MAPTTDP1L3MBTL1NSD2PRSS1
SCHEMBL9967358 0.86 NSD2 (0.58) MAPTTDP1L3MBTL1NSD2PRSS1
SCHEMBL13286804 0.86 NSD2 (0.81) MAPTTDP1L3MBTL1NSD2PRSS1
SCHEMBL21986457 0.86 MAPT (0.62) MAPTTDP1L3MBTL1NSD2PRSS1
SCHEMBL27592785 0.85 NSD2 (0.65) MAPTTDP1L3MBTL1NSD2PRSS1
SCHEMBL27610805 0.84 NSD2 (0.63) MAPTTDP1L3MBTL1NSD2PRSS1
SCHEMBL27610789 0.84 NSD2 (0.63) MAPTTDP1L3MBTL1NSD2PRSS1
SCHEMBL2396251 0.83 MAPT (0.83) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL14062435 0.83 MAPT (0.83) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL9967353 0.82 NSD2 (0.52) MAPTTDP1L3MBTL1NSD2PRSS1

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-2008065527-A2 GALLIC ACID ESTERS OF FRAGRANT ALCOHOLS GHISALBERTI CARLO (BR) 2008-06-05 WO disclosed