SCHEMBL4727641

SCHEMBL4727641

CCCCC1(CC)C(=O)[SH]c2cc(OCC(=O)NC(C(=O)NCP(C)(=O)OCC)c3ccccc3)c(SC)cc2N(c2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.42
ELANE P08246 1/20 0.33
CTSD P07339 3/20 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
SCHEMBL4741522 0.90 NR1H4 (0.44) NR1H4ELANECTSD
SCHEMBL5707135 0.90 NR1H4 (0.42) NR1H4ELANECTSD
SCHEMBL5691316 0.89 NR1H4 (0.45) NR1H4ELANECTSD
SCHEMBL4783554 0.89 NR1H4 (0.43) NR1H4ELANECTSD
SCHEMBL4729688 0.89 NR1H4 (0.43) NR1H4ELANECTSD
SCHEMBL6629929 0.88 NR1H4 (0.45) NR1H4ELANECTSD
SCHEMBL4617561 0.88 NR1H4 (0.42) NR1H4ELANECTSD
SCHEMBL6527603 0.87 NR1H4 (0.45) NR1H4ELANECTSD
SCHEMBL4662900 0.87 NR1H4 (0.42) NR1H4ELANECTSD
SCHEMBL4782192 0.87 NR1H4 (0.42) 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 3 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-1478368-A1 USE OF BENZOTHIAZEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT FOR REDUCING CHOLESTEROLOLEMIA Astrazeneca AB (SE) 2004-11-24 EP disclosed
WO-2003061663-A1 USE OF BENZOTHIAZEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT FOR REDUCING CHOLESTEROLOLEMIA ASTRAZENECA AB (SE) 2003-07-31 WO disclosed