SCHEMBL4640802

SCHEMBL4640802

CCCCC1(CCCC)C(=O)[SH]c2cc(OCC(=O)N[C@@H](C(=O)N[C@H](C(=O)O)C(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
SCHEMBL4636187 0.92 NR1H4 (0.62) NR1H4KMT2AATMELANE
SCHEMBL3904116 0.91 NR1H4 (0.47) NR1H4ELANE
SCHEMBL6250345 0.91 NR1H4 (0.52) NR1H4KMT2AATMELANE
SCHEMBL6205772 0.91 NR1H4 (0.46) NR1H4ELANE
SCHEMBL3831828 0.90 NR1H4 (0.56) NR1H4KMT2AATMELANE
SCHEMBL4783638 0.90 NR1H4 (0.56) NR1H4KMT2AATMELANE
SCHEMBL6447798 0.90 NR1H4 (0.56) NR1H4KMT2AATMELANE
SCHEMBL4596921 0.89 NR1H4 (0.50) NR1H4KMT2AATMELANE
SCHEMBL4851757 0.89 NR1H4 (0.48) NR1H4KMT2AELANE
SCHEMBL6206446 0.89 NR1H4 (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896409-A1 NOVEL 2-AZETIDINONE DERIVATIVES AS CHOLESTEROL ABSORPTION INHIBITORS USEFUL FOR THE TREATMENT OF HYPERLIPIDAEMIC CONDITIONS AstraZeneca AB (SE) 2008-03-12 EP disclosed
WO-2006137795-A1 NOVEL 2-AZETIDINONE DERIVATIVES AS CHOLESTEROL ABSORPTION INHIBITORS USEFUL FOR THE TREATMENT OF HYPERLIPIDAEMIC CONDITIONS ASTRAZENECA AB (SE) 2006-12-28 WO disclosed
EP-1699759-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005061452-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed