SCHEMBL20320368

SCHEMBL20320368

CC1C(=O)C(O)CC(C)(C)C1=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENO1 P06733 1/20 0.32
PTPN1 P18031 1/20 0.31
MAPT P10636 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
SCHEMBL1110020 0.70 ENO1 (0.32) ENO1PTPN1
SCHEMBL1110119 0.70 ENO1 (0.32) ENO1PTPN1
SCHEMBL2689523 0.66
SCHEMBL13811045 0.65
SCHEMBL8677887 0.65 ENO1 (0.32) ENO1PTPN1
SCHEMBL5713354 0.65 ENO1 (0.32) ENO1PTPN1
SCHEMBL8378487 0.65 ENO1 (0.32) ENO1PTPN1
SCHEMBL960112 0.65 ENO1 (0.32) ENO1PTPN1
SCHEMBL8165368 0.65 ENO1 (0.32) ENO1PTPN1
SCHEMBL7838483 0.65 ENO1 (0.32) ENO1PTPN1

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
WO-2018114732-A1 PROCESS FOR PREPARING (4S)- OR (4R)-3,4-DIHYDROXY-2,6,6-TRIMETHYLCYCLOHEX-2-ENONE BASF SE (DE) 2018-06-28 WO disclosed