SCHEMBL7871600

SCHEMBL7871600

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

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.31
CES2 O00748 1/20 0.30

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
SCHEMBL2709914 0.87 TRIM24 (0.33) ESR2CES2
SCHEMBL30928250 0.82 TSHR (0.37)
SCHEMBL9815710 0.82 TSHR (0.37)
SCHEMBL18498 0.82 TSHR (0.37)
SCHEMBL4927811 0.78 TRIM24 (0.38)
SCHEMBL13098500 0.75 TSHR (0.32)
SCHEMBL148906 0.74
Adipic Acid SCHEMBL29758275 0.73 LMNA (0.39)
SCHEMBL19337908 0.73 LMNA (0.30)
SCHEMBL10031071 0.73 TSHR (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313351-B1 Process for producing alicyclic monoketones and process for producing alicyclic diketones HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2001-11-06 US disclosed