SCHEMBL20164209

SCHEMBL20164209

CCOC(=O)N(CC)c1cc(C(C)(C)C)cc(C)c1OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
HTT P42858 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC8 Q9BY41 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
LMNA P02545 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ELANE P08246 1/20 0.30
CD69 Q07108 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
SCHEMBL20164207 0.89 TSHR (0.39) TSHRHTTMAPTHPGDRAB9A
SCHEMBL20164236 0.86 LMNA (0.39) TSHRHTTMAPTKDM4ETP53
SCHEMBL18249429 0.85 HTT (0.38) TSHRHTTMAPTKDM4ETP53
SCHEMBL20164273 0.83 MAPT (0.43) TSHRMAPTGAARAB9AMEN1
SCHEMBL18249379 0.82 KMT2A (0.39) TSHRMAPTTP53GAARAB9A
SCHEMBL20164226 0.81 TSHR (0.42) TSHRHTTMAPTKDM4EHSD17B10
SCHEMBL20164300 0.81 ABCB1 (0.38) TSHRMAPTTP53RAB9AHDAC8
SCHEMBL18249457 0.79 LMNA (0.41) MAPTKDM4ETP53GAAHPGD
SCHEMBL19899256 0.79 TSHR (0.45) TSHRHTTHPGDRAB9AHDAC8
SCHEMBL18249419 0.79 KDM4E (0.48) TSHRHTTMAPTKDM4ETP53

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