SCHEMBL20164241

SCHEMBL20164241

CCOC(=O)N(C)c1cc(C(C)(C)C)ccc1OC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
HIF1A Q16665 1/20 0.36
ELANE P08246 4/20 0.35
VDR P11473 1/20 0.35
ADRB2 P07550 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 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
SCHEMBL20164235 0.89 LMNA (0.43) TSHRLMNAKDM4EMEN1KMT2A
SCHEMBL20164269 0.86 TSHR (0.44) TSHRLMNAKDM4ECYP2C19ALDH1A1
SCHEMBL20164219 0.83 MAPT (0.47) TSHRLMNAMEN1KMT2ANPSR1
SCHEMBL18249422 0.82 ELANE (0.48) TSHRLMNANPSR1ALDH1A1CYP3A4
SCHEMBL20164213 0.82 KMT2A (0.41) TSHRLMNAMEN1KMT2ANPSR1
SCHEMBL20164250 0.81 TSHR (0.38) TSHRLMNAMEN1KMT2ANPSR1
SCHEMBL20164204 0.81 NPSR1 (0.39) TSHRLMNAKMT2ANPSR1RAB9A
SCHEMBL20164231 0.79 ELANE (0.41) LMNAKDM4EKMT2ANPSR1ALDH1A1
SCHEMBL20164226 0.75 TSHR (0.42) TSHRLMNAKDM4EMEN1KMT2A
SCHEMBL20164261 0.73 MAPT (0.48) TSHRMEN1KMT2ACYP2C19ALDH1A1

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