SCHEMBL28469806

SCHEMBL28469806

CN(C)C1CCCCCCCCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 8/20 0.50
ADH1C P00326 5/20 0.50
PHGDH O43175 2/20 0.44
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
ADH1B P00325 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
HRH4 Q9H3N8 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADH4 P08319 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34

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
SCHEMBL15595 1.00
SCHEMBL1679002 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL612962 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL3080635 1.00
SCHEMBL1674941 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL283931 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL13356252 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL612785 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL20733112 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL28251831 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL

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
CN-111818799-A Herbicidal compositions comprising pyrimidinediones 福阿母韩农株式会社 2020-10-23 CN disclosed