SCHEMBL6993226

SCHEMBL6993226

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.41
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 11/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 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
SCHEMBL6992847 0.88 ELANE (0.43) ELANECYP2C19ALDH1A1KDM4EPKM
SCHEMBL6993818 0.85 ELANE (0.43) ELANECYP2C19ALDH1A1MAPTMEN1
SCHEMBL7507444 0.84 ELANE (0.45) ELANECYP2C19ALDH1A1MAPTMEN1
SCHEMBL6987940 0.84 ELANE (0.48) ELANECYP2C19ALDH1A1MAPTMEN1
SCHEMBL7513280 0.82 ELANE (0.44) ELANECYP2C19ALDH1A1MAPTMEN1
SCHEMBL6993400 0.81 ELANE (0.42) ELANECYP2C19ALDH1A1MAPTMEN1
SCHEMBL6993131 0.80 ELANE (0.41) ELANECYP2C19ALDH1A1MAPTMEN1
SCHEMBL7512573 0.80 ELANE (0.44) ELANECYP2C19ALDH1A1MAPTMEN1
SCHEMBL6986488 0.78 GAA (0.36) ELANEALDH1A1MAPTMEN1KMT2A
Ethyl Bromo Acetate SCHEMBL7509727 0.77 ALDH1A1 (0.39) ELANECYP2C19ALDH1A1MAPTMEN1

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