SCHEMBL12831823

SCHEMBL12831823

COc1cc2c(c(O)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 10/20 1.00
TUBB4A P04350 7/20 1.00
TUBB P07437 7/20 1.00
TUBA3C P0DPH7 7/20 1.00
TUBA1B P68363 7/20 1.00
TUBA4A P68366 7/20 1.00
TUBB4B P68371 7/20 1.00
TUBB3 Q13509 7/20 1.00
TUBB2A Q13885 7/20 1.00
TUBB8 Q3ZCM7 7/20 1.00
TUBA3E Q6PEY2 7/20 1.00
TUBA1A Q71U36 7/20 1.00
TUBA1C Q9BQE3 7/20 1.00
TUBB6 Q9BUF5 7/20 1.00
TUBB2B Q9BVA1 7/20 1.00
TOP2A P11388 2/20 0.79
TOP2B Q02880 2/20 0.79
KDM4E B2RXH2 1/20 0.69
MEN1 O00255 1/20 0.69
CYP2C9 P11712 1/20 0.69

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
SCHEMBL2146845 0.93 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Thiocolchicine SCHEMBL43161 0.93 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Thiocolchicine SCHEMBL43160 0.93 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Colchicine SCHEMBL2723855 0.90 TUBB1 (0.95) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15151764 0.90 TUBB1 (0.85) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12091234 0.90 TUBB1 (0.85) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13622204 0.89 TUBB1 (0.80) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13622267 0.89 TUBB1 (0.80) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12402700 0.89 TUBB1 (0.88) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2146635 0.87 TUBB4A (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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
EP-2292218-A2 Nimesulide and muscle relaxant combinations thereof Sanovel Ilac Sanayi ve Ticaret A.S. (TR) 2011-03-09 EP disclosed