SCHEMBL21522845

SCHEMBL21522845

CCCCOC(=O)CC(C)N(C)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.40
ALDH1A1 P00352 1/20 0.39
DNM1 Q05193 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DGKA P23743 1/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
RAD52 P43351 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FAAH O00519 1/20 0.34

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
SCHEMBL21522889 0.94 ALDH1A1 (0.39) NAAAALDH1A1DNM1ATMNPSR1
SCHEMBL21522907 0.90 CHRNB2 (0.35) NAAAALDH1A1DNM1DGKA
SCHEMBL20180238 0.87 MGAM (0.41) ALDH1A1TSHR
SCHEMBL20168885 0.83 NAAA (0.39) NAAAALDH1A1DNM1ATMNPSR1
SCHEMBL21522908 0.83 NAAA (0.39) NAAAALDH1A1DNM1ATMNPSR1
SCHEMBL28494423 0.81 ALDH1A1 (0.41) NAAAALDH1A1ATML3MBTL1HPGD
SCHEMBL21522876 0.81 TSHR (0.34) ALDH1A1MAPK1L3MBTL1TSHRSMN1; SMN2
SCHEMBL21522905 0.81 NAAA (0.37) NAAAALDH1A1DNM1ATMNPSR1
SCHEMBL21522898 0.78 GAA (0.36) ALDH1A1MAPK1TSHRSMN1; SMN2
SCHEMBL21522920 0.77 GAA (0.43) ALDH1A1L3MBTL1TSHR

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-3541857-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2020-09-09 EP disclosed
US-10654946-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2020-05-19 US disclosed
US-20190330388-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2019-10-31 US disclosed