SCHEMBL8706325

SCHEMBL8706325

CC(C)(C)CC(C)(C)C1CCC(=O)CC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.32

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
SCHEMBL112039 0.80 SLC2A1 (0.41) CES2
SCHEMBL12326283 0.78 CES2 (0.39) CES2
SCHEMBL27902476 0.78 CES2 (0.32) CES2
SCHEMBL28982666 0.78 CES2 (0.32) CES2
SCHEMBL4655224 0.78
SCHEMBL11460960 0.77 CES2 (0.31) CES2
SCHEMBL4655189 0.74 MEN1 (0.35)
SCHEMBL41691 0.74 ALDH1A1 (0.40)
SCHEMBL2709914 0.74 TRIM24 (0.33) CES2
Cyclohexanone SCHEMBL3913013 0.74 ALDH1A1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723450-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1998-03-03 US disclosed
EP-0719256-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1995007891-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed
US-4389321-A 2,3-Dihydroperimidines as antioxidants for lubricants CIBA-GEIGY CORPORATION (US) 1983-06-21 US disclosed