SCHEMBL4782097

SCHEMBL4782097

COc1ccc(C(=O)C=C2c3ccccc3C(=O)c3c(O)cccc32)c(O)c1OC

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL4583222 0.90 TDP1 (0.51) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4797029 0.82 MAPT (0.47) MAPTMEN1KMT2A
SCHEMBL4798159 0.76 P4HB (0.51)
SCHEMBL4796301 0.74 TGM2 (0.50) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4778439 0.73 MAOA (0.51) SMN1; SMN2MAPTMEN1KMT2ATDP1
SCHEMBL4781996 0.72 AR (0.43)
SCHEMBL4782629 0.72 MAOA (0.46) SMN1; SMN2MAPTMEN1KMT2ATDP1
SCHEMBL4780631 0.71 MAOA (0.49) SMN1; SMN2MAPTMEN1KMT2ATDP1
SCHEMBL4795882 0.69 MAP3K7 (0.56) SMN1; SMN2MAPTMEN1KMT2ATDP1
SCHEMBL4782134 0.69 MAP3K7 (0.56) MAPTMEN1KMT2A

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-2008015265-A1 ANTHRACEN DERIVATIVES AND THEIR USE FOR THE TREATMENT OF BENIGN AND MALIGNANT TUMOROUS DISEASES ÆTERNA ZENTARIS GMBH (DE) 2008-02-07 WO disclosed