SCHEMBL9751376

SCHEMBL9751376

COC(=O)C12CCCC1C(=O)CC(=O)C2

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 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
SCHEMBL9751367 0.91 PTPN1 (0.33)
SCHEMBL9751374 0.84
SCHEMBL1874744 0.75 THRB (0.33) NPSR1MAPT
SCHEMBL9751364 0.75 HSD11B1 (0.33)
SCHEMBL9751381 0.75 KDM4E (0.32)
SCHEMBL9751369 0.73 KDM4E (0.31) MAPT
SCHEMBL9751435 0.73 GAA (0.37) MAPT
SCHEMBL9751361 0.72
SCHEMBL1709532 0.69 CYP3A4 (0.45) NPSR1MAPT
SCHEMBL9738461 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422040-A4 HERBICIDAL BICYCLIC 1,3-DIKETONE DERIVATIVES 1991-08-07 EP claimed
EP-0422040-A1 HERBICIDAL BICYCLIC 1,3-DIKETONE DERIVATIVES DUNLENA PTY. LIMITED (AU) 1991-04-17 EP claimed
WO-1989012041-A1 HERBICIDAL BICYCLIC 1,3-DIKETONE DERIVATIVES DUNLENA PTY. LIMITED (AU) 1989-12-14 WO claimed
EP-0422040-A4 HERBICIDAL BICYCLIC 1,3-DIKETONE DERIVATIVES 1991-08-07 EP disclosed
EP-0422040-A1 HERBICIDAL BICYCLIC 1,3-DIKETONE DERIVATIVES DUNLENA PTY. LIMITED (AU) 1991-04-17 EP disclosed
WO-1989012041-A1 HERBICIDAL BICYCLIC 1,3-DIKETONE DERIVATIVES DUNLENA PTY. LIMITED (AU) 1989-12-14 WO disclosed