SCHEMBL28367209

SCHEMBL28367209

C=CCOC(=O)O.C=CCc1ccccc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
HTT P42858 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
TFEB P19484 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ELANE P08246 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41

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
Bicarbonate SCHEMBL3212051 0.88 KDM4E (0.54) KDM4EKMT2AMEN1CYP3A4TDP1
SCHEMBL29890976 0.83 IDO1 (0.52) KMT2AALDH1A1MAPT
SCHEMBL592331 0.83 IDO1 (0.52) KMT2AALDH1A1MAPT
Ethylene SCHEMBL21360008 0.81 IDO1 (0.50) KDM4EKMT2AALDH1A1MAPT
Bromide SCHEMBL28225208 0.81 IDO1 (0.50) KDM4EKMT2AALDH1A1MAPT
SCHEMBL6032361 0.79 L3MBTL1 (0.47) KDM4EKMT2AMEN1CYP3A4TDP1
SCHEMBL4606315 0.79 CYP3A4 (0.46) KDM4EKMT2AMEN1CYP3A4TDP1
Anisole SCHEMBL3212046 0.79 CYP3A4 (0.51) KDM4EKMT2AMEN1CYP3A4SMN1; SMN2
SCHEMBL16776780 0.78 IDO1 (0.46) KMT2AMEN1CYP3A4L3MBTL1SMN1; SMN2
SCHEMBL895338 0.77 KDM4E (0.48) KDM4EKMT2AMEN1TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108701866-B Silane-functionalized ionic liquids 诺姆斯科技有限公司 2022-05-31 CN disclosed
CN-109196707-B Heterocyclic ionic liquids 诺姆斯技术公司 2022-03-15 CN disclosed
CN-113710643-A Boron-containing modified ionic liquids 诺姆斯科技股份有限公司 2021-11-26 CN disclosed
CN-113574059-A Modified ionic liquids containing a cyclic phosphorus moiety 诺姆斯科技股份有限公司 2021-10-29 CN disclosed
CN-110915037-A Phosphorus-containing electrolyte 诺姆斯科技公司 2020-03-24 CN disclosed
CN-110892568-A Modified triazine functional compounds 诺姆斯科技公司 2020-03-17 CN disclosed
CN-110892567-A Modified ionic liquids containing triazines 诺姆斯科技公司 2020-03-17 CN disclosed