SCHEMBL6993400

SCHEMBL6993400

CCCCC1(CC)C(=O)Sc2cc(OCC(=O)OCC)c(S(C)(=O)=O)cc2N(c2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.42
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PKM P14618 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ABCB1 P08183 1/20 0.33
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
CASP9 P55211 1/20 0.33
GAA P10253 1/20 0.32
PTPN1 P18031 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PPOX P50336 1/20 0.32

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 0.89 ELANE (0.45) ELANECYP2C19NPC1RAB9APKM
SCHEMBL6992847 0.87 ELANE (0.43) ELANECYP2C19ATMNPC1RAB9A
SCHEMBL6993131 0.85 ELANE (0.41) ELANECYP2C19NPC1RAB9APKM
SCHEMBL7513280 0.82 ELANE (0.44) ELANECYP2C19ATMPKMKDM4E
SCHEMBL6993226 0.81 ELANE (0.41) ELANECYP2C19PKMKDM4EMEN1
Ethyl Bromo Acetate SCHEMBL7509727 0.81 ALDH1A1 (0.39) ELANECYP2C19NPC1RAB9APKM
SCHEMBL6987940 0.80 ELANE (0.48) ELANECYP2C19PKMKDM4EGAA
SCHEMBL6992279 0.78 ELANE (0.42) ELANECYP2C19PKMKDM4EALDH1A1
SCHEMBL7512573 0.76 ELANE (0.44) ELANECYP2C19ATMNPC1RAB9A
SCHEMBL6986488 0.76 GAA (0.36) ELANENPC1RAB9APKMKDM4E

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