SCHEMBL20164205

SCHEMBL20164205

CCOC(=O)N(C)CCCOC(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 4/20 0.55
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
GAA P10253 3/20 0.50
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 2/20 0.47
SCN1A P35498 2/20 0.47
SCN2A Q99250 2/20 0.47
SCN3A Q9NY46 2/20 0.47
CYP3A4 P08684 2/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
DRD3 P35462 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL20164277 0.91 LMNA (0.58) TDP1LMNAALDH1A1SMN1; SMN2GAA
SCHEMBL15933417 0.87 TDP1 (0.64) TDP1LMNAALDH1A1SMN1; SMN2GAA
SCHEMBL20164210 0.86 GAA (0.70) LMNAALDH1A1SMN1; SMN2GAACYP1A2
SCHEMBL20164297 0.84 GAA (0.50) LMNAALDH1A1SMN1; SMN2GAACYP1A2
SCHEMBL20164216 0.84 ALDH1A1 (0.52) TDP1LMNAALDH1A1SMN1; SMN2GAA
SCHEMBL1067976 0.83 TDP1 (0.55) TDP1LMNAALDH1A1SMN1; SMN2GAA
SCHEMBL11287086 0.82 GAA (0.71) TDP1LMNAALDH1A1SMN1; SMN2GAA
SCHEMBL6415229 0.80 TDP1 (0.58) TDP1LMNAALDH1A1SMN1; SMN2GAA
SCHEMBL28646633 0.79 TDP1 (0.53) TDP1LMNAALDH1A1SMN1; SMN2GAA
Ethyl Benzoate SCHEMBL21531031 0.78 LMNA (0.63) TDP1LMNAALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298048-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2019-07-03 EP disclosed
US-10221256-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2019-03-05 US disclosed
US-20180142044-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-05-24 US disclosed