SCHEMBL6986488

SCHEMBL6986488

CCCCC1(CCCC)C(=O)Sc2cc(OCC(=O)OCC)c(SC)cc2N(c2ccc(Cl)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 6/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPOX P50336 1/20 0.35
KDM4E B2RXH2 5/20 0.33
ELANE P08246 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 3/20 0.31
MAPT P10636 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
P2RX3 P56373 1/20 0.31
PGR P06401 1/20 0.31
RAB9A P51151 2/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 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 0.89 ELANE (0.43) GAAPKMALDH1A1PPOXKDM4E
SCHEMBL6987830 0.86 ELANE (0.38) ALDH1A1L3MBTL1ELANEMEN1KMT2A
SCHEMBL6993818 0.83 ELANE (0.43) GAAPKMALDH1A1L3MBTL1KDM4E
SCHEMBL6993131 0.80 ELANE (0.41) GAAPKMALDH1A1PPOXKDM4E
SCHEMBL6992526 0.78 NR1H4 (0.40) ALDH1A1KDM4E
SCHEMBL7507444 0.78 ELANE (0.45) GAAPKMALDH1A1PPOXKDM4E
SCHEMBL6993226 0.78 ELANE (0.41) PKMALDH1A1KDM4EELANEMEN1
Ethyl Bromo Acetate SCHEMBL7509727 0.77 ALDH1A1 (0.39) GAAPKMALDH1A1PPOXKDM4E
SCHEMBL6993400 0.76 ELANE (0.42) GAAPKMALDH1A1L3MBTL1PPOX
SCHEMBL14677996 0.73 NR1H4 (0.48) TDP1ELANEMEN1KMT2A

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