SCHEMBL5024604

SCHEMBL5024604

COc1ccc(Oc2c(I)cc(CC=O)cc2I)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.50
TUBB P07437 3/20 0.50
TUBA3C P0DPH7 3/20 0.50
TUBA1B P68363 3/20 0.50
TUBA4A P68366 3/20 0.50
TUBB4B P68371 3/20 0.50
TUBB3 Q13509 3/20 0.50
TUBB2A Q13885 3/20 0.50
TUBB8 Q3ZCM7 3/20 0.50
TUBA3E Q6PEY2 3/20 0.50
TUBA1A Q71U36 3/20 0.50
TUBA1C Q9BQE3 3/20 0.50
TUBB6 Q9BUF5 3/20 0.50
TUBB2B Q9BVA1 3/20 0.50
TUBB1 Q9H4B7 3/20 0.50
PCNA P12004 10/20 0.47
THRB P10828 7/20 0.47
THRA P10827 6/20 0.47
LMNA P02545 3/20 0.47
POLB P06746 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
SCHEMBL4422901 0.84 THRB (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5014840 0.82 PCNA (0.44) PCNATHRBTHRALMNAPOLB
SCHEMBL5024605 0.80 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5022997 0.79 THRB (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4422896 0.78 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5016597 0.76 ALDH1A1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3390749 0.75 GAA (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13403404 0.74 PTGS2 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13518328 0.73 TUBB1 (0.79) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8916819 0.72 TRPV1 (0.49) LMNAARALDH1A1

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-2008030892-A2 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-03-13 WO disclosed