SCHEMBL4627449

SCHEMBL4627449

CCCCC1(CCCC)C(=O)Sc2cc(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 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.39
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SLC10A2 Q12908 1/20 0.31
POLB P06746 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 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
SCHEMBL5690082 0.92 NR1H4 (0.48) NR1H4KMT2AATMALDH1A1KDM4E
SCHEMBL4598864 0.89 NR1H4 (0.47) NR1H4KMT2AATMALDH1A1KDM4E
SCHEMBL4665664 0.88 NR1H4 (0.39) NR1H4KMT2AATMALDH1A1NPSR1
SCHEMBL3833863 0.88 NR1H4 (0.43) NR1H4ALDH1A1KDM4EELANE
SCHEMBL5709264 0.85 NR1H4 (0.42) NR1H4ALDH1A1KDM4EELANE
SCHEMBL3835998 0.83 NR1H4 (0.51) NR1H4KMT2AATMALDH1A1KDM4E
SCHEMBL4598602 0.83 NR1H4 (0.49) NR1H4KMT2AATMALDH1A1KDM4E
SCHEMBL6256758 0.82 NR1H4 (0.50) NR1H4KMT2AATMELANE
SCHEMBL5709061 0.81 NR1H4 (0.47) NR1H4KMT2AATMALDH1A1KDM4E
SCHEMBL5689217 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-1877373-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS Microbia, Inc. (US) 2008-01-16 EP disclosed
WO-2006121861-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-11-16 WO disclosed
EP-1699759-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY AstraZeneca AB (SE) 2006-09-13 EP disclosed
EP-1572626-A1 THERAPEUTIC AGENTS Astrazeneca AB (SE) 2005-09-14 EP disclosed
WO-2005061452-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
WO-2004056748-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2004-07-08 WO disclosed