SCHEMBL4847539

SCHEMBL4847539

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.51
ELANE P08246 1/20 0.33
CTSD P07339 3/20 0.32
SLC10A1 Q14973 1/20 0.31
MME P08473 2/20 0.31
KDM4E B2RXH2 1/20 0.30
PKM P14618 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
SCHEMBL5709249 0.95 NR1H4 (0.56) NR1H4ELANECTSDKDM4EPKM
SCHEMBL4782628 0.95 NR1H4 (0.51) NR1H4ELANECTSDKDM4EPKM
SCHEMBL4609459 0.94 NR1H4 (0.50) NR1H4ELANECTSD
SCHEMBL4611434 0.94 NR1H4 (0.50) NR1H4ELANECTSDMME
SCHEMBL5709143 0.92 NR1H4 (0.51) NR1H4ELANECTSD
SCHEMBL4846444 0.92 NR1H4 (0.49) NR1H4ELANECTSD
SCHEMBL4851757 0.92 NR1H4 (0.48) NR1H4ELANECTSD
SCHEMBL6206446 0.92 NR1H4 (0.55) NR1H4SLC10A1
SCHEMBL4636187 0.92 NR1H4 (0.62) NR1H4ELANE
SCHEMBL4783638 0.91 NR1H4 (0.56) NR1H4ELANEKDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 WO disclosed
EP-1699759-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY AstraZeneca AB (SE) 2006-09-13 EP disclosed
EP-1610770-A1 USE OF AN IBAT INHIBITOR FOR THE TREATMENT OF PROPHYLAXIS OF CONSTIPATION AstraZeneca AB (SE) 2006-01-04 EP disclosed
WO-2005061452-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO 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