SCHEMBL6986467

SCHEMBL6986467

CCCCC1(CC)C(=O)Sc2cc(OC(C(=O)N[C@@H](C(=O)O)c3ccccc3)c3ccccc3)c(SC)cc2N(c2ccccc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.39
NR1H4 Q96RI1 1/20 0.36
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 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
SCHEMBL3838373 0.83 NR1H4 (0.50) ELANENR1H4KDM4EPKM
SCHEMBL3835251 0.82 NR1H4 (0.44) ELANENR1H4KDM4E
SCHEMBL5721660 0.81 NR1H4 (0.45) ELANENR1H4KDM4ECYP2C19
SCHEMBL4598886 0.81 NR1H4 (0.43) ELANENR1H4
SCHEMBL14677996 0.81 NR1H4 (0.48) ELANENR1H4
SCHEMBL4665640 0.80 NR1H4 (0.44) ELANENR1H4
SCHEMBL4618555 0.80 NR1H4 (0.46) ELANENR1H4
SCHEMBL5689568 0.80 NR1H4 (0.42) ELANENR1H4KDM4E
SCHEMBL5709264 0.80 NR1H4 (0.42) ELANENR1H4KDM4E
SCHEMBL4598052 0.80 NR1H4 (0.51) ELANENR1H4KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345918-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
WO-2002050051-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2002-06-27 WO disclosed