SCHEMBL4617439

SCHEMBL4617439

CCCCC1(CCCC)C(=O)Sc2cc(OCC(=O)N[C@@H](C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O)c3ccc(O)cc3)c(SC)cc2N(c2ccccc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.55
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL4598195 0.96 NR1H4 (0.50) NR1H4
SCHEMBL5706923 0.95 NR1H4 (0.56) NR1H4KMT2AATM
SCHEMBL5706924 0.93 NR1H4 (0.56) NR1H4KMT2AATM
SCHEMBL4782435 0.93 NR1H4 (0.55) NR1H4KMT2AATM
SCHEMBL14677825 0.93 NR1H4 (0.62) NR1H4KMT2AATM
SCHEMBL6231057 0.92 NR1H4 (0.54) NR1H4KMT2AATM
SCHEMBL5709066 0.92 NR1H4 (0.56) NR1H4KMT2AATM
SCHEMBL5709130 0.91 NR1H4 (0.55) NR1H4KMT2AATM
SCHEMBL3831703 0.91 NR1H4 (0.51) NR1H4
SCHEMBL4597959 0.90 NR1H4 (0.54) NR1H4KMT2AATM

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-1879860-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA Microbia Inc. (US) 2008-01-23 EP disclosed
WO-2006122186-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA MICROBIA, INC. (US) 2006-11-16 WO 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
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-1539120-A1 COMBINATION OF AN IBAT INHIBITOR AND A METAL SALT FOR THE TREATMENT OF DIARRHOEA Astrazeneca AB (SE) 2005-06-15 EP 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