SCHEMBL2234709

SCHEMBL2234709

COc1c(O)cc(/C=C/c2cccc(O)c2)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.67
BCR P11274 1/20 0.67
LCK P06239 2/20 0.63
TUBB1 Q9H4B7 5/20 0.54
TUBB4A P04350 2/20 0.54
TUBB P07437 2/20 0.54
TUBA3C P0DPH7 2/20 0.54
TUBA1B P68363 2/20 0.54
TUBA4A P68366 2/20 0.54
TUBB4B P68371 2/20 0.54
TUBB3 Q13509 2/20 0.54
TUBB2A Q13885 2/20 0.54
TUBB8 Q3ZCM7 2/20 0.54
TUBA3E Q6PEY2 2/20 0.54
TUBA1A Q71U36 2/20 0.54
TUBA1C Q9BQE3 2/20 0.54
TUBB6 Q9BUF5 2/20 0.54
TUBB2B Q9BVA1 2/20 0.54
SLC22A2 O15244 1/20 0.54
SLCO2B1 O94956 1/20 0.54

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
SCHEMBL2234712 1.00 ABL1 (0.67) ABL1BCRLCKTUBB1TUBB4A
SCHEMBL2719693 0.85 TUBB1 (0.65) ABL1BCRTUBB1TUBB4ATUBB
SCHEMBL2719692 0.85 TUBB1 (0.65) ABL1BCRTUBB1TUBB4ATUBB
SCHEMBL21980876 0.84 TUBB1 (0.71) ABL1BCRLCKTUBB1TUBB4A
SCHEMBL21980865 0.84 TUBB1 (0.71) ABL1BCRLCKTUBB1TUBB4A
SCHEMBL4929169 0.83 TDP1 (0.67) ABL1BCRLCKTUBB1TUBB4A
SCHEMBL4929178 0.83 TDP1 (0.67) ABL1BCRLCKTUBB1TUBB4A
SCHEMBL30900517 0.81 CYP1A1 (0.65) ABL1BCRLCKTUBB1TUBB4A
SCHEMBL19433104 0.81 CYP1A1 (0.65) ABL1BCRLCKTUBB1TUBB4A
SCHEMBL2979470 0.81 LCK (0.73) ABL1BCRLCKTDP1KDM4E

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-2362226-A1 Diagnostic method for neurodegenerative diseases based on measurement of SIRT1 levels or activity The President and Fellows of Harvard College (US) 2011-08-31 EP disclosed