SCHEMBL6584344

SCHEMBL6584344

COc1cc(C=CC=O)cc(OC)c1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.57
CDK1 P06493 2/20 0.57
CDK4 P11802 2/20 0.57
CCNB1 P14635 2/20 0.57
CCND1 P24385 2/20 0.57
CCNB3 Q8WWL7 2/20 0.57
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
APP P05067 3/20 0.49
TNFRSF1A P19438 3/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49

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
SCHEMBL6584338 1.00 CCNB2 (0.57) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL7089735 0.90 CCNB2 (0.63) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL28987645 0.85 TUBB1 (0.68) PDCD1CD274APPTNFRSF1ATUBB4A
SCHEMBL2879297 0.85 ALDH1A1 (0.57) PDCD1CD274PDE4APDE4BPDE4C
SCHEMBL4623828 0.85 PDCD1 (0.60) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL4623825 0.85 PDCD1 (0.60) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5702556 0.85 APP (0.65) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5702554 0.85 APP (0.65) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL30141008 0.83 PDCD1 (0.56) PDCD1CD274APPPDE4APDE4B
SCHEMBL6444060 0.83 PDCD1 (0.56) PDCD1CD274APPPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710659-B1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-28 EP disclosed
EP-0783496-B9 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-03 EP disclosed
EP-0783496-B1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-26 EP disclosed
US-5965589-A AN ACTIVE MATERIAL HAVING HYPOGLYCEMIC ACTIVITY AND BLOOD LIPID LOWERING ACTIVITY, FOR USE AS AN ANTIDIABETIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-12 US disclosed
US-5932601-A USEFUL FOR LOWERING BLOOD SUGAR AND LIPID IN BLOOD TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-03 US disclosed
EP-0783496-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-16 EP disclosed
WO-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 WO disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed
WO-1996005186-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-22 WO disclosed