SCHEMBL4609459

SCHEMBL4609459

CCCCC1(CCCC)C(=O)[SH]c2cc(OCC(=O)N[C@@H](C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O)c3ccccc3)c(SC)cc2N(c2ccccc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.50
CTSD P07339 3/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL5320529 0.96 NR1H4 (0.55) NR1H4
SCHEMBL5709143 0.94 NR1H4 (0.51) NR1H4CTSDELANE
SCHEMBL4847539 0.94 NR1H4 (0.51) NR1H4CTSDELANE
SCHEMBL5709249 0.92 NR1H4 (0.56) NR1H4CTSDELANE
SCHEMBL4782628 0.92 NR1H4 (0.51) NR1H4CTSDELANE
SCHEMBL5821358 0.91 NR1H4 (0.56) NR1H4
SCHEMBL4611434 0.91 NR1H4 (0.50) NR1H4CTSDELANE
SCHEMBL4846444 0.89 NR1H4 (0.49) NR1H4CTSDELANE
SCHEMBL4783638 0.89 NR1H4 (0.56) NR1H4ELANE
SCHEMBL4851757 0.89 NR1H4 (0.48) NR1H4CTSDELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515984-A1 PEPTIDE DERIVATIVES COMPRISING THIAZEPINE GROUP FOR THE TREATMENT OF HYPERLIPIDEMIC CONDITIONS Astrazeneca AB (SE) 2005-03-23 EP claimed
WO-2003106482-A1 PEPTIDES DERIVATIVES COMPRISING THIAZEPINE GROUP FOR THE TREATMENT OF HYPERLIPIDEMIC CONDITIONS ASTRAZENECA AB (SE) 2003-12-24 WO claimed
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 WO disclosed
EP-1896408-A1 NEW 2-AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HYPERLIPIDAEMIC DISEASES AstraZeneca AB (SE) 2008-03-12 EP disclosed
EP-1896407-A1 NOVEL 2-AZETIDINONE DERIVATIVES AND THEIR USE AS CHOLESTEROL ABSORPTION INHIBITORS FOR THE TREATMENT OF HYPERLIPIDAEMIA AstraZeneca AB (SE) 2008-03-12 EP disclosed
EP-1877373-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS Microbia, Inc. (US) 2008-01-16 EP disclosed
EP-1851197-A2 PHENYLAZETIDINONE DERIVATIVES Microbia, Inc. (US) 2007-11-07 EP disclosed
WO-2006137782-A1 NOVEL 2-AZETIDINONE DERIVATIVES AND THEIR USE AS CHOLESTEROL ABSORPTION INHIBITORS FOR THE TREATMENT OF HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2006-12-28 WO disclosed
WO-2006137794-A1 NEW2-AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HYPERLIPIDAEMIC DISEASES ASTRAZENECA AB (SE) 2006-12-28 WO disclosed
WO-2006121861-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-11-16 WO disclosed
WO-2006086562-A2 PHENYLAZETIDINONE DERIVATIVES MICROBIA, INC. (US) 2006-08-17 WO disclosed
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