SCHEMBL9801022

SCHEMBL9801022

CCC1COCCN1CCCO

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 4/20 0.39
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
AVPR1B P47901 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
SCHEMBL9801092 0.89 PDK1 (0.41) PDK1PDK2PDK3KDM4EALDH1A1
SCHEMBL30481604 0.86 PDK1 (0.36) PDK1PDK2PDK3ALDH1A1
SCHEMBL3427689 0.86 PDK1 (0.49) PDK1PDK2PDK3KDM4EALDH1A1
SCHEMBL9801722 0.83 KEAP1 (0.44) PDK1PDK2PDK3
SCHEMBL9801150 0.82 PDK1 (0.37) PDK1PDK2PDK3KDM4EALDH1A1
SCHEMBL25966798 0.79 PDK1 (0.46) PDK1
SCHEMBL24800507 0.79 CHRNB2 (0.33) PDK1PDK2PDK3ALDH1A1
SCHEMBL9801749 0.79 PDK1 (0.36) PDK1PDK2PDK3
SCHEMBL6043381 0.79 CA12 (0.40) PDK1PDK2PDK3KDM4EALDH1A1
SCHEMBL24951483 0.79 PDK1 (0.36) PDK1PDK2PDK3

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-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed