SCHEMBL7086934

SCHEMBL7086934

CCCCC1(CCCC)C(=O)[SH]c2cc(OC)c(SC)cc2N(c2ccc(Cl)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

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
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
MAPT P10636 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
SCHEMBL6987830 0.81 ELANE (0.38) ELANEPGRALDH1A1NPSR1GPR55
SCHEMBL6618785 0.79 ELANE (0.43) ELANEALDH1A1NPSR1GPR55MEN1
SCHEMBL7090352 0.77 ELANE (0.48) ELANEALDH1A1NPSR1GPR55MEN1
SCHEMBL7087824 0.76 ELANE (0.46) ELANEALDH1A1NPSR1GPR55MEN1
SCHEMBL6615610 0.74 ELANE (0.52) ELANEPGRALDH1A1NPSR1GPR55
SCHEMBL6250345 0.71 NR1H4 (0.52) ELANEMEN1KMT2A
SCHEMBL4851757 0.70 NR1H4 (0.48) ELANEMEN1KMT2A
SCHEMBL5327298 0.69 NR1H4 (0.45) ELANE
SCHEMBL4782628 0.69 NR1H4 (0.51) ELANEMEN1KMT2A
SCHEMBL6205772 0.68 NR1H4 (0.46) 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