SCHEMBL20164277

SCHEMBL20164277

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
PHLPP2 Q6ZVD8 1/20 0.48
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 3/20 0.46
CYP2D6 P10635 1/20 0.46
MAOA P21397 1/20 0.46
HTR3A P46098 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MAPK1 P28482 1/20 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
SCHEMBL20164205 0.91 TDP1 (0.58) LMNASMN1; SMN2TDP1ALDH1A1MAPT
SCHEMBL20164227 0.83 ALDH1A1 (0.49) LMNASMN1; SMN2TDP1ALDH1A1MAPT
SCHEMBL65544 0.80 PHLPP2 (0.70) LMNASMN1; SMN2TDP1ALDH1A1MAPT
Ethyl Benzoate SCHEMBL21531031 0.80 LMNA (0.63) LMNASMN1; SMN2TDP1ALDH1A1MAPT
SCHEMBL11746793 0.79 LMNA (0.55) LMNASMN1; SMN2TDP1ALDH1A1MAPT
SCHEMBL11745705 0.79 LMNA (0.55) LMNASMN1; SMN2TDP1ALDH1A1MAPT
SCHEMBL6408658 0.79 SMN1; SMN2 (0.57) LMNASMN1; SMN2TDP1ALDH1A1MAPT
Ethyl Benzoate SCHEMBL25388294 0.78 LMNA (0.70) LMNASMN1; SMN2TDP1ALDH1A1MAPT
Ethyl Benzoate SCHEMBL55674 0.78 LMNA (0.70) LMNASMN1; SMN2TDP1ALDH1A1MAPT
Ethyl Benzoate SCHEMBL2762273 0.78 LMNA (0.70) LMNASMN1; SMN2TDP1ALDH1A1MAPT

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