SCHEMBL4838997

SCHEMBL4838997

O=C(C=C1c2ccccc2C(=O)c2c(O)cc(Cl)cc21)c1cccc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.52
TAB1 Q15750 1/20 0.52
BCL2 P10415 1/20 0.43
MCL1 Q07820 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
AR P10275 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 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
SCHEMBL4782134 0.88 MAP3K7 (0.56) MAP3K7TAB1BCL2MCL1TUBB4A
SCHEMBL4878944 0.87 MAP3K7 (0.51) MAP3K7TAB1BCL2MCL1TUBB4A
SCHEMBL4796145 0.87 MAP3K7 (0.54) MAP3K7TAB1BCL2MCL1TUBB4A
SCHEMBL4978768 0.85 MAP3K7 (0.54) MAP3K7TAB1TUBB4ATUBBTUBA3C
SCHEMBL4978774 0.85 MAP3K7 (0.54) MAP3K7TAB1TUBB4ATUBBTUBA3C
SCHEMBL4978547 0.85 MAP3K7 (0.64) MAP3K7TAB1TUBB4ATUBBTUBA3C
SCHEMBL4882386 0.84 MAP3K7 (0.50) MAP3K7TAB1TUBB4ATUBBTUBA3C
SCHEMBL4986292 0.83 MAP3K7 (0.54) MAP3K7TAB1TUBB4ATUBBTUBA3C
SCHEMBL4981870 0.83 MAP3K7 (0.54) MAP3K7TAB1TUBB4ATUBBTUBA3C
SCHEMBL4982769 0.82 MAP3K7 (0.51) MAP3K7TAB1TUBB4ATUBBTUBA3C

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