SCHEMBL3834784

SCHEMBL3834784

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.50
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ELANE P08246 1/20 0.32
CAPNS1 P04632 1/20 0.32
CAPN1 P07384 1/20 0.32
CTSD P07339 3/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 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
SCHEMBL4598052 0.99 NR1H4 (0.51) NR1H4MEN1KMT2AELANECAPNS1
SCHEMBL3838373 0.96 NR1H4 (0.50) NR1H4MEN1KMT2AELANECAPNS1
SCHEMBL5706924 0.95 NR1H4 (0.56) NR1H4MEN1KMT2AELANEKDM4E
SCHEMBL6989461 0.94 NR1H4 (0.51) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL3831703 0.92 NR1H4 (0.51) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL4619436 0.92 NR1H4 (0.50) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL4598195 0.92 NR1H4 (0.50) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL4618555 0.91 NR1H4 (0.46) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL5706907 0.91 NR1H4 (0.49) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL14677996 0.91 NR1H4 (0.48) NR1H4MEN1KMT2AELANECAPNS1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345918-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP claimed
WO-2002050051-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2002-06-27 WO claimed
EP-2013165-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSOR TION INHIBITOR ACTIVIT. Astra Zeneca AB (SE) 2009-01-14 EP disclosed
WO-2007126358-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSOR TION INHIBITOR ACTIVIT. ASTRAZENECA AB (SE) 2007-11-08 WO disclosed
EP-1699759-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY AstraZeneca AB (SE) 2006-09-13 EP disclosed
EP-1641749-A1 POTASSIUM OR SODIUM SALT OF (-)-2- {'2-(4-HYDROXYPHENYL)ETHYL]-THIO -3-'4-(2- {4-'(METHYLSULFONYL)OXY ]PHENOXY }PHENYL]PROPANOIC ACID AND THEIR USE IN MEDICINE. Astrazeneca AB (SE) 2006-04-05 EP disclosed
EP-1638930-A1 AMINE SALTS OF (-)-2- ¬2-(4-HYDROXYPHENYL)ETHYL|-THIO -3-¬4-(2- 4-¬(METHYLSULFONYL)OXY|PHENOXY ETHYL)PHENYL|PROPANOIC ACID AND THEIR USE IN MEDICINE. Astrazeneca AB (SE) 2006-03-29 EP disclosed
EP-1638922-A1 PHARMACEUTICALLY USEFUL SALTS OF CARBOXYLIC ACID DERIVATES AstraZeneca AB (SE) 2006-03-29 EP disclosed
EP-1638921-A1 PHARMACEUTICALLY USEFUL SALTS OF CARBOXYLIC ACID DERIVATES AstraZeneca AB (SE) 2006-03-29 EP disclosed
EP-1638926-A1 2-ETHOXY-3-PHENYLPROPIONIC ACID DERIVATIVES FOR THE TREATMENT OF LIPID DISORDERS Astrazeneca AB (SE) 2006-03-29 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-2004113283-A1 AMINE SALTS OF (-)-2-{`2-(4-HYDROXYPHENYL) ETHYL!-THIO}-3-`4-(2-{4-`(METHYLSULFONYL)OXY! PHENOXY}ETHYL)PHENYL! PROPANOIC ACID AND THERE USE IN MEDICINE ASTRAZENECA AB (SE) 2004-12-29 WO disclosed
WO-2004113276-A1 2-ETHOXY-3-PHENYLPROPIONIC ACID DERIVATIVES FOR THE TREATMENT OF LIPID DISORDERS ASTRAZENECA AB (SE) 2004-12-29 WO disclosed
WO-2004110985-A1 PHARMACEUTICALLY USEFUL SALTS OF CARBOXYLIC ACID DERIVATES ASTRAZENECA AB (SE) 2004-12-23 WO disclosed
WO-2004110984-A1 PHARMACEUTICALLY USEFUL SALTS OF CARBOXYLIC ACID DERIVATES ASTRAZENECA AB (SE) 2004-12-23 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-2004089350-A1 USE OF AN IBAT INHIBITOR FOR THE TREATMENT OF PROPHYLAXIS OF CONSTIPATION ASTRAZENECA AB (SE) 2004-10-21 WO disclosed
WO-2004056748-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2004-07-08 WO disclosed
WO-2004006899-A1 COMBINATION OF AN IBAT INHIBITOR AND A METAL SALT FOR THE TREATMENT OF DIARRHOEA ASTRAZENECA AB (SE) 2004-01-22 WO 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