SCHEMBL6987830

SCHEMBL6987830

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.38
PGR P06401 2/20 0.35
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
AMY1A P0DUB6 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
DUSP3 P51452 1/20 0.31
MCL1 Q07820 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL6986488 0.86 GAA (0.36) ELANEPGRALDH1A1NPSR1MEN1
SCHEMBL7086934 0.81 ELANE (0.38) ELANEPGRALDH1A1NPSR1GPR55
SCHEMBL6993818 0.79 ELANE (0.43) ELANEALDH1A1NPSR1GPR55MEN1
SCHEMBL6991971 0.77 ELANE (0.48) ELANEALDH1A1NPSR1GPR55MEN1
SCHEMBL6992526 0.74 NR1H4 (0.40) ALDH1A1
SCHEMBL6992847 0.74 ELANE (0.43) ELANEALDH1A1NPSR1GPR55
SCHEMBL6994314 0.74 ELANE (0.52) ELANEALDH1A1NPSR1GPR55MEN1
SCHEMBL7512573 0.73 ELANE (0.44) ELANEALDH1A1NPSR1GPR55MEN1
SCHEMBL6992850 0.71 ELANE (0.40) ELANEPGRALDH1A1NPSR1GPR55
SCHEMBL5225113 0.71 SLC6A2 (0.37) ELANEPGRALDH1A1NPSR1AMY1A

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