SCHEMBL20164281

SCHEMBL20164281

CCOC(=O)N(C)c1cc(C(C)(C)C)cc(C)c1OC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 6/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.39
RAB9A P51151 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
THRB P10828 1/20 0.37
NR1I2 O75469 1/20 0.36
CHRM2 P08172 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADRA2B P18089 1/20 0.36

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
SCHEMBL20164286 0.89 GAA (0.38) MAPTKMT2AALDH1A1LMNACYP1A2
SCHEMBL20164284 0.88 LMNA (0.41) TDP1MAPTKMT2AALDH1A1LMNA
SCHEMBL20164273 0.88 MAPT (0.43) TDP1MAPTL3MBTL1KMT2AALDH1A1
SCHEMBL18249438 0.87 KMT2A (0.44) MAPTKMT2AALDH1A1LMNAPKM
SCHEMBL20164228 0.87 ABCB1 (0.35) MAPTL3MBTL1KMT2AALDH1A1LMNA
SCHEMBL20164206 0.87 MAPT (0.42) TDP1MAPTL3MBTL1KMT2AALDH1A1
SCHEMBL30034031 0.86 MAPT (0.48) TDP1MAPTL3MBTL1KMT2AALDH1A1
SCHEMBL18668318 0.86 MAPT (0.48) TDP1MAPTL3MBTL1KMT2AALDH1A1
SCHEMBL20164295 0.85 L3MBTL1 (0.41) TDP1MAPTL3MBTL1KMT2AALDH1A1
SCHEMBL20164219 0.84 MAPT (0.47) TDP1MAPTL3MBTL1KMT2AALDH1A1

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