SCHEMBL6186295

SCHEMBL6186295

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CO)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 9/20 0.51
▸ ATM Q13315 2/20 0.51
▸ NPSR1 Q6W5P4 8/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ POLB P06746 3/20 0.49
▸ MAPT P10636 5/20 0.47
▸ CTSK P43235 2/20 0.45
▸ CTSS P25774 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ CAPN1 P07384 1/20 0.44
▸ KLK7 P49862 1/20 0.44
▸ KLK5 Q9Y337 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PAX8 Q06710 1/20 0.43

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
SCHEMBL4808560 0.89 TDP1 (0.56) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL31758256 0.89 TDP1 (0.61) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL30100913 0.88 TDP1 (0.50) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL14682808 0.83 TDP1 (0.48) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL31591658 0.83 CTSK (0.50) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL14682815 0.83 CTSK (0.50) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL14682796 0.82 TDP1 (0.45) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL5024804 0.82 MEN1 (0.55) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL23607315 0.82 TDP1 (0.52) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL23607317 0.82 TDP1 (0.52) TDP1ATMNPSR1KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521742-A1 DIPHENYLAZETIDINONE DERIVATIVES FOR TREATING DISORDERS OF THE LIPID METABOLISM AstraZeneca AB (SE) 2005-04-13 — — EP disclosed
WO-2004005247-A1 DIPHENYLAZETIDINONE DERIVATIVES FOR TREATING DISORDERS OF THE LIPID METABOLISM ASTRAZENECA AB (SE) 2004-01-15 — — WO disclosed
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