SCHEMBL4731985

SCHEMBL4731985

CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)NC[C@@H](O)CC(=O)O)c3ccc(O)cc3)cc2S(=O)(=O)N1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.79
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
SLC10A2 Q12908 4/20 0.32
CTSD P07339 3/20 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
SCHEMBL25250178 1.00 NR1H4 (0.79) NR1H4KMT2AATMSLC10A2CTSD
SCHEMBL6049392 0.96 NR1H4 (0.73) NR1H4SLC10A2CTSD
SCHEMBL4615546 0.95 NR1H4 (0.80) NR1H4KMT2AATMSLC10A2CTSD
SCHEMBL5743635 0.93 NR1H4 (0.83) NR1H4KMT2AATMSLC10A2
SCHEMBL4617212 0.91 NR1H4 (0.80) NR1H4KMT2AATMSLC10A2CTSD
SCHEMBL4732517 0.91 NR1H4 (0.74) NR1H4SLC10A2CTSD
SCHEMBL5273166 0.91 NR1H4 (0.79) NR1H4KMT2AATMSLC10A2CTSD
SCHEMBL919911 0.90 NR1H4 (0.87) NR1H4KMT2AATMSLC10A2
SCHEMBL15163626 0.90 NR1H4 (0.87) NR1H4KMT2AATMSLC10A2
SCHEMBL5742076 0.90 NR1H4 (0.84) NR1H4KMT2AATMSLC10A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2575821-A2 BILE ACID RECYCLING INHIBITORS AND SATIOGENS FOR TREATMENT OF DIABETES, OBESITY, AND INFLAMMATORY GASTROINTESTINAL CONDITIONS Satiogen Pharmaceuticals, Inc. (US) 2013-04-10 EP claimed
WO-2011150286-A2 BILE ACID RECYCLING INHIBITORS AND SATIOGENS FOR TREATMENT OF DIABETES, OBESITY, AND INFLAMMATORY GASTROINTESTINAL CONDITIONS SATIOGEN PHARMACEUTICALS,INC. (US) 2011-12-01 WO claimed
EP-1572626-A1 THERAPEUTIC AGENTS Astrazeneca AB (SE) 2005-09-14 EP claimed
WO-2004056748-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2004-07-08 WO claimed
EP-2770990-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE Lumena Pharmaceuticals, Inc. (US) 2014-09-03 EP disclosed
EP-2771003-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES Lumena Pharmaceuticals, Inc. (US) 2014-09-03 EP disclosed
EP-2739286-A2 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PANCREATITIS Lumena Pharmaceuticals, Inc. (US) 2014-06-11 EP disclosed
WO-2013063526-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE Lumena Pharmaceuticals, Inc. (US) 2013-05-02 WO disclosed
WO-2013063512-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES LUMENA PHARMACEUTICALS, INC (US) 2013-05-02 WO disclosed
WO-2013020108-A2 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PANCREATITIS Lumena Pharmaceuticals, Inc. (US) 2013-02-07 WO disclosed
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 WO disclosed