SCHEMBL8080248

SCHEMBL8080248

CC(C)(C)OC(=O)C=[N+]=CC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
ELANE P08246 4/20 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
SCHEMBL42660 0.80 MEN1 (0.38) DGAT1
SCHEMBL375029 0.75 HCAR2 (0.45) DGAT1ELANE
SCHEMBL5898802 0.75 DGAT1 (0.40) DGAT1ELANE
SCHEMBL43764 0.75 HCAR2 (0.45) DGAT1ELANE
SCHEMBL43004 0.75 HCAR2 (0.45) DGAT1ELANE
SCHEMBL297178 0.72
SCHEMBL1913508 0.72
SCHEMBL30658 0.70
Water SCHEMBL9467349 0.70 DGAT1 (0.37) DGAT1
SCHEMBL3690271 0.70

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
US-6143749-A Heterocyclic substituted cyclopentane compounds ABBOTT LABORATORIES (US) 2000-11-07 US claimed
EP-0873340-A1 HETEROCYCLIC SUBSTITUTED CYCLOPENTANE COMPOUNDS Abbott Laboratories (US) 1998-10-28 EP claimed
WO-1996040686-A1 HETEROCYCLIC SUBSTITUTED CYCLOPENTANE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-19 WO claimed
US-6143749-A Heterocyclic substituted cyclopentane compounds ABBOTT LABORATORIES (US) 2000-11-07 US disclosed
EP-0873340-A1 HETEROCYCLIC SUBSTITUTED CYCLOPENTANE COMPOUNDS Abbott Laboratories (US) 1998-10-28 EP disclosed
WO-1996040686-A1 HETEROCYCLIC SUBSTITUTED CYCLOPENTANE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-19 WO disclosed