SCHEMBL4732803

SCHEMBL4732803

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.63
PRSS1 P07477 1/20 0.57
ACR P10323 1/20 0.57
TYR P14679 1/20 0.53
SERPINE1 P05121 3/20 0.51
HPGD P15428 1/20 0.49
XBP1 P17861 1/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
NFKB1 P19838 1/20 0.49
XDH P47989 1/20 0.49
GFER P55789 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
FUT7 Q11130 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 2/20 0.47

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
SCHEMBL13286804 0.86 NSD2 (0.81) NSD2PRSS1SERPINE1HPGDPOLB
SCHEMBL4736287 0.83 NSD2 (0.62) NSD2PRSS1ACRTYRSERPINE1
SCHEMBL29004327 0.83 PRSS1 (0.71) PRSS1ACRHPGDXBP1LMNA
SCHEMBL4734203 0.82 TYR (0.51) NSD2PRSS1ACRTYRSERPINE1
SCHEMBL5287967 0.82 PRSS1 (0.55) PRSS1ACRHPGDXBP1LMNA
SCHEMBL4738042 0.81 NSD2 (0.69) NSD2PRSS1ACRSERPINE1POLB
SCHEMBL3006067 0.81 NSD2 (0.73) NSD2PRSS1SERPINE1HPGDPOLB
SCHEMBL5292727 0.81 HPGD (0.56) PRSS1ACRHPGDXBP1LMNA
SCHEMBL4736293 0.79 NSD2 (0.65) NSD2TYRSERPINE1POLBLMNA
SCHEMBL5011535 0.78 NSD2 (0.74) NSD2PRSS1SERPINE1HPGDPOLB

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