SCHEMBL4666128

SCHEMBL4666128

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

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.52
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
ELANE P08246 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
SCHEMBL5709135 0.95 NR1H4 (0.52) NR1H4KMT2AATMELANE
SCHEMBL14677825 0.92 NR1H4 (0.62) NR1H4KMT2AATMELANE
SCHEMBL6026583 0.91 NR1H4 (0.47) NR1H4ELANE
SCHEMBL4615585 0.91 NR1H4 (0.46) NR1H4ELANE
SCHEMBL5709130 0.90 NR1H4 (0.55) NR1H4KMT2AATMELANE
SCHEMBL4659695 0.90 NR1H4 (0.41) NR1H4ELANE
SCHEMBL5706924 0.90 NR1H4 (0.56) NR1H4KMT2AATMELANE
SCHEMBL5709066 0.90 NR1H4 (0.56) NR1H4KMT2AATMELANE
SCHEMBL6256758 0.89 NR1H4 (0.50) NR1H4KMT2AATMELANE
SCHEMBL14677996 0.89 NR1H4 (0.48) NR1H4KMT2AELANE

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 4 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-1610770-A1 USE OF AN IBAT INHIBITOR FOR THE TREATMENT OF PROPHYLAXIS OF CONSTIPATION AstraZeneca AB (SE) 2006-01-04 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