SCHEMBL27896290

SCHEMBL27896290

O=[N+]([O-])N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 9/20 0.37
ADH1C P00326 6/20 0.36
GSR P00390 2/20 0.34
ADH4 P08319 1/20 0.33
ADH1B P00325 1/20 0.32
FDPS P14324 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MGLL Q99685 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PHGDH O43175 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
SCHEMBL6063380 0.75 GSR (0.36) ADH1AADH1CGSRADH4ADH1B
SCHEMBL31500792 0.69 ALDH1A1 (0.38) ADH1AGSRFDPSMEN1KMT2A
SCHEMBL25610603 0.69 GSR (0.39) ADH1AADH1CGSRADH4MEN1
SCHEMBL10974755 0.65 ADH1A (0.33) ADH1AADH1CPHGDH
SCHEMBL62178 0.63
SCHEMBL1192805 0.63 GSR (0.38) ADH1AADH1CGSRADH4ADH1B
SCHEMBL1192536 0.63 GSR (0.38) ADH1AADH1CGSRADH4ADH1B
SCHEMBL264241 0.63 GSR (0.38) ADH1AADH1CGSRADH4ADH1B
SCHEMBL1192208 0.63 GSR (0.38) ADH1AADH1CGSRADH4ADH1B
SCHEMBL1192951 0.63 GSR (0.38) ADH1AADH1CGSRADH4ADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105237969-A Composite biodegradation gas-phase anti-rusting membrane and preparation process thereof CHONGQING BOLANG PLASTIC CO LTD 2016-01-13 CN claimed
CN-106367132-A Synergistic emission reducing methanol fuel 广西东奇能源技术有限公司 2017-02-01 CN disclosed
CN-105839085-A Rapidly solidified metal passivator and preparation method thereof 无锡伊佩克科技有限公司 2016-08-10 CN disclosed
CN-105237969-A Composite biodegradation gas-phase anti-rusting membrane and preparation process thereof CHONGQING BOLANG PLASTIC CO LTD 2016-01-13 CN disclosed
CN-105018943-A Novel acid pickling additive and preparation method thereof SANQING E P CO LTD 2015-11-04 CN disclosed
CN-104962922-A Corrosion inhibition descaling agent for blast furnace gas excess pressure turbine power generation device and preparing method of corrosion inhibition descaling agent XI AN REJEE INDUSTRY DEV CO LTD 2015-10-07 CN disclosed
CN-104591578-A Reinforcing steel bar inhibitor and preparation method thereof QINGJIAN GROUP CO LTD 2015-05-06 CN disclosed
CN-103911187-A Production formula for methanol gasoline NINGXIA BAOTA PETROCHEMICAL TECHNOLOGY INDUSTRY DEV CO LTD 2014-07-09 CN disclosed
CN-102719302-A Volatile rust preventive oil SHANGHAI FUDAO CHEMICAL TECHNOLOGY DEV CO LTD 2012-10-10 CN disclosed