SCHEMBL4598864

SCHEMBL4598864

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.47
ELANE P08246 1/20 0.32
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL5690082 0.98 NR1H4 (0.48) NR1H4KMT2AATMKDM4EALDH1A1
SCHEMBL5709264 0.96 NR1H4 (0.42) NR1H4ELANEKDM4EALDH1A1
SCHEMBL3833863 0.94 NR1H4 (0.43) NR1H4ELANEKDM4EALDH1A1
SCHEMBL3835998 0.90 NR1H4 (0.51) NR1H4ELANEKMT2AATMKDM4E
SCHEMBL4598602 0.89 NR1H4 (0.49) NR1H4KMT2AATMKDM4EALDH1A1
SCHEMBL4627449 0.89 NR1H4 (0.39) NR1H4ELANEKMT2AATMKDM4E
SCHEMBL4624338 0.89 NR1H4 (0.40) NR1H4ELANE
SCHEMBL5721660 0.88 NR1H4 (0.45) NR1H4ELANEKDM4EALDH1A1
SCHEMBL6256758 0.88 NR1H4 (0.50) NR1H4ELANEKMT2AATM
SCHEMBL5274004 0.88 NR1H4 (0.47) NR1H4ELANEKMT2AATM

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517883-B8 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2008-05-21 EP disclosed
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
WO-2005061452-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
EP-1517883-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE AstraZeneca AB (SE) 2005-03-30 EP disclosed
WO-2004000790-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2003-12-31 WO disclosed