SCHEMBL4596808

SCHEMBL4596808

CCCCC1(CCCC)NSC2=C(C(=O)[C@@H](SC)C(OCC(=O)N[C@@H](C(=O)NCCCCC(=O)O)c3ccc(O)cc3)=C2)N(c2ccccc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.36
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CTSD P07339 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
SCHEMBL4664295 0.98 NR1H4 (0.37) NR1H4KMT2AATMCTSD
SCHEMBL3834127 0.96 NR1H4 (0.38) NR1H4KMT2AATMCTSD
SCHEMBL4620344 0.94 CTSD (0.34) NR1H4CTSD
SCHEMBL3836011 0.93 NR1H4 (0.34) NR1H4CTSD
SCHEMBL4617929 0.92 NR1H4 (0.36) NR1H4KMT2AATM
SCHEMBL3832238 0.90 KMT2A (0.39) NR1H4KMT2AATM
SCHEMBL5709100 0.89 NR1H4 (0.40) NR1H4KMT2AATM
SCHEMBL14895745 0.89 NR1H4 (0.33) NR1H4CTSD
SCHEMBL4616597 0.89 NR1H4 (0.43) NR1H4KMT2AATM
SCHEMBL3832617 0.88 NR1H4 (0.39) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896408-A1 NEW 2-AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HYPERLIPIDAEMIC DISEASES AstraZeneca AB (SE) 2008-03-12 EP disclosed
EP-1877373-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS Microbia, Inc. (US) 2008-01-16 EP disclosed
WO-2007051995-A2 TERT-BUTYLAMMONIUM SALT OR ADAMNTYLAMMONIUM SALT OF ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2007-05-10 WO disclosed
WO-2006137794-A1 NEW2-AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HYPERLIPIDAEMIC DISEASES ASTRAZENECA AB (SE) 2006-12-28 WO disclosed
WO-2006121861-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-11-16 WO disclosed