SCHEMBL20165517

SCHEMBL20165517

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
ALDH1A1 P00352 1/20 0.30
NAAA Q02083 1/20 0.30
DGKA P23743 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
SCHEMBL21522908 0.91 NAAA (0.39) ALDH1A1NAAADGKA
SCHEMBL21522942 0.84 TSHR (0.33) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21522907 0.82 CHRNB2 (0.35) MGAMGAASIMGAM2CHRNB2
SCHEMBL21522866 0.81 ALDH1A1 (0.34) MGAMGAASIMGAM2CHRNB2
SCHEMBL28481794 0.80 ALDH1A1 (0.34) MGAMGAASIMGAM2ALDH1A1
SCHEMBL20166077 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL20168881 0.78 ALDH1A1 (0.34) ALDH1A1
SCHEMBL21522901 0.77 DNM1 (0.36) ALDH1A1NAAADGKA
SCHEMBL2539677 0.77 CHRNB2 (0.39) CHRNB2CHRNA4ALDH1A1
SCHEMBL304328 0.76 ALDH1A1 (0.43) MGAMGAASIMGAM2ALDH1A1

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 5 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
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