SCHEMBL20168867

SCHEMBL20168867

CCOC(=O)N(CC(C)C)C(CC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.33
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIN1 Q13526 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
SCHEMBL28684969 0.84 HSD17B10 (0.38) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL20165470 0.82 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL28694775 0.80 ALDH1A1 (0.47) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL13321723 0.80 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL24661795 0.79 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL28702852 0.79 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL20165510 0.78 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL28482602 0.77 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL28870483 0.77 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL28870482 0.77 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10POLBL3MBTL1

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
EP-3541857-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2019-09-25 EP disclosed
WO-2018091375-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-05-24 WO disclosed