SCHEMBL5808205

SCHEMBL5808205

COC(=O)c1[nH]c2ccc(OC)cc2c1Sc1cc(OC)c(OC)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 19/20 1.00
TUBB P07437 19/20 1.00
TUBA3C P0DPH7 19/20 1.00
TUBA1B P68363 19/20 1.00
TUBA4A P68366 19/20 1.00
TUBB4B P68371 19/20 1.00
TUBB3 Q13509 19/20 1.00
TUBB2A Q13885 19/20 1.00
TUBB8 Q3ZCM7 19/20 1.00
TUBA3E Q6PEY2 19/20 1.00
TUBA1A Q71U36 19/20 1.00
TUBA1C Q9BQE3 19/20 1.00
TUBB6 Q9BUF5 19/20 1.00
TUBB2B Q9BVA1 19/20 1.00
TUBB1 Q9H4B7 19/20 1.00
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL5808169 0.89 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5807682 0.88 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5798380 0.86 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5807941 0.86 TUBB4A (0.79) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5806250 0.85 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5806979 0.84 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9144519 0.80 TUBB4A (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5807961 0.78 TUBB4A (0.83) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5811358 0.78 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5811956 0.76 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203224-A1 SMALL-MOLECULES FOR TREATING CANCER AND ABNORMAL CELL PROLIFERATION DISORDERS UNIVERSITY OF SOUTHERN CALIFORNIA 2007-08-30 US disclosed
US-20070203224-A1 SMALL-MOLECULES FOR TREATING CANCER AND ABNORMAL CELL PROLIFERATION DISORDERS UNIVERSITY OF SOUTHERN CALIFORNIA 2007-08-30 US disclosed
WO-2007081966-A2 SMALL MOLECULES FOR TREATING CANCER AND ABNORMAL CELL PROLIFERATION DISORDERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2007-07-19 WO disclosed
WO-2006041961-A1 ARYLTHIOINDOLE TUBULIN POLYMERIZATION INHIBITORS AND METHODS OF TREATING OR PREVENTING CANCER USING SAME GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTHAND HUMAN SERVICES (US) 2006-04-20 WO disclosed