SCHEMBL4598052

SCHEMBL4598052

CCCCC1(CCCC)C(=O)Sc2cc(OCC(=O)N[C@@H](C(=O)N[C@H](CO)C(=O)O)c3ccccc3)c(SC)cc2N(c2ccccc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.51
ELANE P08246 1/20 0.33
CAPNS1 P04632 1/20 0.32
CAPN1 P07384 1/20 0.32
CTSD P07339 3/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 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
SCHEMBL3834784 0.99 NR1H4 (0.50) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL3838373 0.97 NR1H4 (0.50) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL5706924 0.96 NR1H4 (0.56) NR1H4ELANEKDM4EPKMMEN1
SCHEMBL6989461 0.95 NR1H4 (0.51) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL3831703 0.94 NR1H4 (0.51) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL4619436 0.94 NR1H4 (0.50) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL4598195 0.93 NR1H4 (0.50) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL4618555 0.92 NR1H4 (0.46) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL5706907 0.92 NR1H4 (0.49) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL14677996 0.92 NR1H4 (0.48) NR1H4ELANECAPNS1CAPN1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539120-A1 COMBINATION OF AN IBAT INHIBITOR AND A METAL SALT FOR THE TREATMENT OF DIARRHOEA Astrazeneca AB (SE) 2005-06-15 EP claimed
EP-1458672-A1 SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVES AS AGONISTS TO HUMAN PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA(PPAR) AstraZeneca AB (SE) 2004-09-22 EP claimed
WO-2004006899-A1 COMBINATION OF AN IBAT INHIBITOR AND A METAL SALT FOR THE TREATMENT OF DIARRHOEA ASTRAZENECA AB (SE) 2004-01-22 WO claimed
WO-2003051822-A1 SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVES AS AGONISTS TO HUMAN PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA (PPAR) ASTRAZENECA AB (SE) 2003-06-26 WO claimed
EP-1885694-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2008-02-13 EP disclosed
EP-1877373-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS Microbia, Inc. (US) 2008-01-16 EP disclosed
WO-2006124713-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2006-11-23 WO disclosed
WO-2006121861-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-11-16 WO disclosed