SCHEMBL6992279

SCHEMBL6992279

CCCCC1(CC)C(=O)Sc2cc(OCC(=O)OC(C)c3ccccc3)c(Br)cc2N(c2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.42
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
CCKAR P32238 1/20 0.30
CCKBR P32239 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
SCHEMBL7507444 0.88 ELANE (0.45) ELANECYP2C19KDM4EPKMALDH1A1
SCHEMBL6987940 0.88 ELANE (0.48) ELANECYP2C19KDM4EPKMALDH1A1
Water SCHEMBL7515031 0.82 ELANE (0.45) ELANECYP2C19KDM4EPKMALDH1A1
SCHEMBL6983814 0.78 ELANE (0.37) ELANECYP2C19
SCHEMBL6993400 0.78 ELANE (0.42) ELANECYP2C19KDM4EPKMALDH1A1
SCHEMBL6993131 0.76 ELANE (0.41) ELANECYP2C19KDM4EPKMALDH1A1
SCHEMBL7512573 0.75 ELANE (0.44) ELANECYP2C19KDM4EPKMALDH1A1
Ethyl Bromo Acetate SCHEMBL7509727 0.74 ALDH1A1 (0.39) ELANECYP2C19KDM4EPKMALDH1A1
SCHEMBL6993818 0.74 ELANE (0.43) ELANECYP2C19KDM4EPKMALDH1A1
SCHEMBL4598886 0.73 NR1H4 (0.43) ELANE

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