SCHEMBL4781996

SCHEMBL4781996

COc1csc(C(=O)C=C2c3ccccc3C(=O)c3c(O)cccc32)c1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.43
P4HB P07237 3/20 0.42

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
SCHEMBL4581767 0.90 AR (0.46) AR
SCHEMBL4796301 0.82 TGM2 (0.50) ARP4HB
SCHEMBL4798159 0.81 P4HB (0.51) P4HB
SCHEMBL4795380 0.77 MAPT (0.55)
SCHEMBL4797029 0.76 MAPT (0.47)
SCHEMBL4778439 0.74 MAOA (0.51)
SCHEMBL4782134 0.72 MAP3K7 (0.56) AR
SCHEMBL4795882 0.72 MAP3K7 (0.56)
SCHEMBL4782629 0.72 MAOA (0.46) P4HB
SCHEMBL4782097 0.72 NPC1 (0.45)

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
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 claimed
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