SCHEMBL2729544

SCHEMBL2729544

CCc1cc(C)cc(CC)c1C1C(=O)C2CC(=O)CC2C1=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31

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
SCHEMBL4764808 0.87
SCHEMBL10127398 0.85
SCHEMBL2685999 0.83 LMNA (0.33)
SCHEMBL13255675 0.83 LMNA (0.33)
SCHEMBL16994203 0.81
SCHEMBL12885590 0.81
SCHEMBL2719339 0.79
SCHEMBL16994571 0.78
SCHEMBL4774264 0.78
SCHEMBL4766218 0.76 BRD4 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635550-B1 PHENYL-SUBSTITUTED BICYCLOOCTANE-1,3-DIONE-DERIVATIVES BAYER IP GMBH (DE) 2016-01-27 EP disclosed
EP-2635550-B1 PHENYL-SUBSTITUTED BICYCLOOCTANE-1,3-DIONE-DERIVATIVES BAYER IP GMBH (DE) 2016-01-27 EP disclosed
US-9101133-B2 Phenyl-substituted bicyclooctane-1,3-dione-derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-11 US disclosed
US-9101133-B2 Phenyl-substituted bicyclooctane-1,3-dione-derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-11 US disclosed
EP-2719680-A1 Phenyl-substituted bicycle octane 1.3 dion derivatives Bayer Intellectual Property GmbH (DE) 2014-04-16 EP disclosed
EP-2635550-A2 PHENYL-SUBSTITUTED BICYCLOOCTANE-1,3-DIONE-DERIVATIVES Bayer Intellectual Property GmbH (DE) 2013-09-11 EP disclosed
WO-2012059436-A2 PHENYL-SUBSTITUTED BICYCLOOCTANE-1,3-DIONE-DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-05-10 WO disclosed
WO-2012059436-A2 PHENYL-SUBSTITUTED BICYCLOOCTANE-1,3-DIONE-DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-05-10 WO disclosed