SCHEMBL5709140

SCHEMBL5709140

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

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.47
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 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
SCHEMBL5709061 0.94 NR1H4 (0.47) NR1H4ALDH1A1KDM4EKMT2AATM
SCHEMBL3835998 0.91 NR1H4 (0.51) NR1H4ALDH1A1KDM4EKMT2AATM
SCHEMBL4598602 0.90 NR1H4 (0.49) NR1H4ALDH1A1KDM4EKMT2AATM
SCHEMBL6256758 0.90 NR1H4 (0.50) NR1H4KMT2AATM
SCHEMBL5690082 0.89 NR1H4 (0.48) NR1H4ALDH1A1KDM4EKMT2AATM
SCHEMBL5689568 0.88 NR1H4 (0.42) NR1H4ALDH1A1KDM4E
SCHEMBL4666128 0.87 NR1H4 (0.52) NR1H4KMT2AATM
SCHEMBL5709135 0.87 NR1H4 (0.52) NR1H4KMT2AATM
SCHEMBL3836167 0.87 NR1H4 (0.45) NR1H4ALDH1A1KDM4E
SCHEMBL4598864 0.87 NR1H4 (0.47) NR1H4ALDH1A1KDM4EKMT2AATM

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-1345918-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP claimed
WO-2002050051-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2002-06-27 WO claimed
EP-1699759-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY AstraZeneca AB (SE) 2006-09-13 EP disclosed
EP-1675820-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS AstraZeneca AB (SE) 2006-07-05 EP disclosed
WO-2005061452-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
WO-2004113270-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS ASTRAZENECA AB (SE) 2004-12-29 WO disclosed
EP-1458677-A1 3-PHENYL-2-ARYLALKYLTHIOPROPIONIC ACID DERIVATIVES AS SELECTIVE AGONISTS OF PPAR-ALPHA Astrazeneca AB (SE) 2004-09-22 EP disclosed
WO-2003051826-A1 3-PHENYL-2-ARYLALKYLTHIOPROPIONIC ACID DERIVATIVES AS SELECTIVE AGONISTS OF PPAR-ALPHA ASTRAZENECA AB (SE) 2003-06-26 WO disclosed