SCHEMBL9637221

SCHEMBL9637221

COC(=O)OC1C(=O)C[C@H]2CC(=O)C[C@@H]12

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.32
BRD4 O60885 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
SCHEMBL9636985 0.83 CYP1A2 (0.33) THRBBRD4
SCHEMBL9495091 0.80
SCHEMBL9638038 0.73
SCHEMBL9636452 0.71 ALDH1A1 (0.40) THRBBRD4
SCHEMBL9729462 0.71 ALDH1A1 (0.40) THRBBRD4
SCHEMBL31196972 0.71 THRB (0.38) THRBBRD4
SCHEMBL31196978 0.71 THRB (0.38) THRBBRD4
SCHEMBL9638058 0.70 MEN1 (0.33) THRB
SCHEMBL9637262 0.65 CYP1A2 (0.36)
SCHEMBL9637170 0.64 ALDH1A1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272201-B1 STEREOSPECIFIC KETOREDUCTION OF BICYCLOOCTANEDIONE-CARBOXYLIC-ACID ESTERS BY MICROORGANISMS SCHERING AKTIENGESELLSCHAFT (DE) 1992-07-08 EP disclosed
EP-0272201-A1 Stereospecific ketoreduction of bicyclooctanedione-carboxylic-acid esters by microorganisms SCHERING AKTIENGESELLSCHAFT (DE) 1988-06-22 EP disclosed
WO-1988003568-A1 STEREOSPECIFIC KETO-REDUCTION OF BICYCLOOCTANDIONE-CARBOXYLIC ACID ESTERS BY MICROORGANISMS SCHERING AKTIENGESELLSCHAFT (DE) 1988-05-19 WO disclosed