SCHEMBL4631606

SCHEMBL4631606

CCCCC1(CCCC)NSC2=C(C(=O)C(SC)C(OCC(=O)N[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)c3ccccc3)=C2)N(c2ccccc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.35
HTRA1 Q92743 1/20 0.32
CTSD P07339 3/20 0.31
CASP1 P29466 3/20 0.31
CASP3 P42574 3/20 0.31
CASP7 P55210 3/20 0.31
CASP6 P55212 3/20 0.31
CASP8 Q14790 3/20 0.31
MBTPS1 Q14703 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
SCHEMBL3832617 0.96 NR1H4 (0.39) NR1H4
SCHEMBL3836150 0.95 NR1H4 (0.34) NR1H4HTRA1CTSD
SCHEMBL4617149 0.94 NR1H4 (0.35) NR1H4CTSD
SCHEMBL6157024 0.92 NR1H4 (0.34) NR1H4CTSD
SCHEMBL5821003 0.92 NR1H4 (0.39) NR1H4CTSD
SCHEMBL14895557 0.92 NR1H4 (0.42) NR1H4CTSD
SCHEMBL4630507 0.92 NR1H4 (0.39) NR1H4CTSD
SCHEMBL5709100 0.90 NR1H4 (0.40) NR1H4
SCHEMBL14895745 0.90 NR1H4 (0.33) NR1H4CTSD
SCHEMBL3836011 0.89 NR1H4 (0.34) NR1H4CTSD

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-1517883-B8 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2008-05-21 EP disclosed
EP-1699759-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY AstraZeneca AB (SE) 2006-09-13 EP disclosed
EP-1699758-A1 DIPHENYLAZETIDINONE DERIVATES PROCESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY AstraZeneca AB (SE) 2006-09-13 EP disclosed
EP-1572626-A1 THERAPEUTIC AGENTS Astrazeneca AB (SE) 2005-09-14 EP disclosed
WO-2005061451-A1 DIPHENYLAZETIDINONE DERIVATES PROCESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO 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
EP-1517883-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE AstraZeneca AB (SE) 2005-03-30 EP disclosed
EP-1458673-A1 SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVES AS AGONISTS TO HUMAN PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA (PPAR) Astrazeneca AB (SE) 2004-09-22 EP disclosed
WO-2004056748-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2004-07-08 WO disclosed
WO-2004005247-A1 DIPHENYLAZETIDINONE DERIVATIVES FOR TREATING DISORDERS OF THE LIPID METABOLISM ASTRAZENECA AB (SE) 2004-01-15 WO disclosed
WO-2004000790-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2003-12-31 WO disclosed
WO-2003051821-A1 SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVES AS AGONISTS TO HUMAN PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA (PPAR) ASTRAZENECA AB (SE) 2003-06-26 WO disclosed