SCHEMBL4598886

SCHEMBL4598886

CCCCC1(CC)C(=O)Sc2cc(OCC(=O)N[C@@H](C(=O)NCC(=O)NO)c3ccccc3)c(SC)cc2N(c2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.43
ELANE P08246 1/20 0.35
CTSD P07339 3/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP14 P50281 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
SCHEMBL3835251 0.95 NR1H4 (0.44) NR1H4ELANECTSD
SCHEMBL3833715 0.92 NR1H4 (0.45) NR1H4ELANECTSD
SCHEMBL5721660 0.91 NR1H4 (0.45) NR1H4ELANECTSD
SCHEMBL4665640 0.90 NR1H4 (0.44) NR1H4ELANECTSD
SCHEMBL5709264 0.89 NR1H4 (0.42) NR1H4ELANECTSD
SCHEMBL5689568 0.89 NR1H4 (0.42) NR1H4ELANECTSD
SCHEMBL4617561 0.89 NR1H4 (0.42) NR1H4ELANECTSD
SCHEMBL6256758 0.89 NR1H4 (0.50) NR1H4ELANECTSD
SCHEMBL3838373 0.89 NR1H4 (0.50) NR1H4ELANECTSD
SCHEMBL3836167 0.88 NR1H4 (0.45) NR1H4ELANECTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879860-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA Microbia Inc. (US) 2008-01-23 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-2006122186-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA MICROBIA, INC. (US) 2006-11-16 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-1610770-A1 USE OF AN IBAT INHIBITOR FOR THE TREATMENT OF PROPHYLAXIS OF CONSTIPATION AstraZeneca AB (SE) 2006-01-04 EP disclosed
EP-1521742-A1 DIPHENYLAZETIDINONE DERIVATIVES FOR TREATING DISORDERS OF THE LIPID METABOLISM AstraZeneca AB (SE) 2005-04-13 EP disclosed
WO-2004089350-A1 USE OF AN IBAT INHIBITOR FOR THE TREATMENT OF PROPHYLAXIS OF CONSTIPATION ASTRAZENECA AB (SE) 2004-10-21 WO disclosed
WO-2004005247-A1 DIPHENYLAZETIDINONE DERIVATIVES FOR TREATING DISORDERS OF THE LIPID METABOLISM ASTRAZENECA AB (SE) 2004-01-15 WO disclosed