SCHEMBL4665664

SCHEMBL4665664

CCCCC1(CCCC)C(=O)[SH]c2cc(OCC(=O)N[C@@H](C(=O)NCCS(=O)(=O)O)c3ccc(O)cc3)c(OC)cc2N(c2ccccc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.39
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
SLC10A2 Q12908 1/20 0.31
POLB P06746 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTPN1 P18031 1/20 0.31
MAPT P10636 1/20 0.31
CTSD P07339 2/20 0.31
ELANE P08246 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
SCHEMBL4660631 0.92 NR1H4 (0.48) NR1H4KMT2AATMCTSD
SCHEMBL5274004 0.89 NR1H4 (0.47) NR1H4KMT2AATMELANE
SCHEMBL4627449 0.88 NR1H4 (0.39) NR1H4KMT2AATMALDH1A1NPSR1
SCHEMBL6449480 0.88 NR1H4 (0.43) NR1H4CTSDELANE
SCHEMBL4662900 0.85 NR1H4 (0.42) NR1H4CTSDELANE
SCHEMBL5689551 0.83 NR1H4 (0.51) NR1H4KMT2AATMCTSDELANE
SCHEMBL4596921 0.82 NR1H4 (0.50) NR1H4KMT2AATMCTSDELANE
SCHEMBL4780637 0.82 NR1H4 (0.48) NR1H4KMT2AATMCTSD
SCHEMBL4637119 0.81 NR1H4 (0.47) NR1H4KMT2AATM
SCHEMBL4778440 0.81 NR1H4 (0.38) NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877067-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA Microbia, Inc. (US) 2008-01-16 EP disclosed
WO-2006116499-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA MICROBIA, INC. (US) 2006-11-02 WO disclosed
EP-1675820-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS AstraZeneca AB (SE) 2006-07-05 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-2004113270-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS ASTRAZENECA AB (SE) 2004-12-29 WO disclosed
WO-2004089350-A1 USE OF AN IBAT INHIBITOR FOR THE TREATMENT OF PROPHYLAXIS OF CONSTIPATION ASTRAZENECA AB (SE) 2004-10-21 WO disclosed