Ethopabate

Ethopabate

SCHEMBL28629644

CCOc1cc(NC(C)=O)ccc1C(=O)OC.[NaH]

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.97
SMN1; SMN2 Q16637 1/20 0.60
RORC P51449 1/20 0.59
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
MAPT P10636 5/20 0.52
CDK1 P06493 1/20 0.52
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 4/20 0.46
CREBBP Q92793 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 2/20 0.44

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
Ethopabate SCHEMBL540932 0.99 TDP1 (1.00) TDP1SMN1; SMN2RORCKMT2AMEN1
Ethopabate SCHEMBL29625103 0.99 TDP1 (1.00) TDP1SMN1; SMN2RORCKMT2AMEN1
SCHEMBL21219501 0.89 TDP1 (0.82) TDP1SMN1; SMN2RORCKMT2AMEN1
SCHEMBL28427762 0.87 TDP1 (0.80) TDP1SMN1; SMN2RORCKMT2AMEN1
SCHEMBL7371976 0.85 TDP1 (0.76) TDP1SMN1; SMN2RORCKMT2AMEN1
SCHEMBL7367372 0.84 TDP1 (0.74) TDP1SMN1; SMN2RORCKMT2AMEN1
SCHEMBL8687307 0.83 TDP1 (0.73) TDP1SMN1; SMN2RORCKMT2AMEN1
SCHEMBL2555975 0.83 TDP1 (0.73) TDP1SMN1; SMN2KMT2AMEN1LMNA
Ethyl Acetate SCHEMBL29281111 0.82 TDP1 (0.71) TDP1SMN1; SMN2RORCKMT2AMEN1
SCHEMBL7326428 0.82 TDP1 (0.71) TDP1SMN1; SMN2RORCKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-213068635-U Surface plasma resonance sensing chip and sensing equipment 北京服装学院 2021-04-27 CN disclosed
CN-111855619-A Surface plasma resonance sensing chip, preparation method thereof and sensing equipment 北京服装学院 2020-10-30 CN disclosed