SCHEMBL6993818

SCHEMBL6993818

CCCCC1(CCCC)C(=O)Sc2cc(OCC(=O)O)c(SC)cc2N(c2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.43
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 3/20 0.37
PKM P14618 2/20 0.37
NR1H4 Q96RI1 1/20 0.35
ALDH1A1 P00352 6/20 0.34
LMNA P02545 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 3/20 0.34
GPR55 Q9Y2T6 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 2/20 0.33
CNR1 P21554 1/20 0.33
HPGD P15428 2/20 0.33
PRNP P04156 1/20 0.33
GLA P06280 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 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
SCHEMBL6992847 0.88 ELANE (0.43) ELANECYP2C19KDM4EPKMNR1H4
SCHEMBL7512573 0.88 ELANE (0.44) ELANECYP2C19KDM4EPKMALDH1A1
SCHEMBL3833715 0.86 NR1H4 (0.45) ELANECYP2C19KDM4ENR1H4ALDH1A1
SCHEMBL6987940 0.85 ELANE (0.48) ELANECYP2C19KDM4EPKMALDH1A1
SCHEMBL6993226 0.85 ELANE (0.41) ELANECYP2C19KDM4EPKMALDH1A1
SCHEMBL6991971 0.84 ELANE (0.48) ELANECYP2C19KDM4EPKMALDH1A1
SCHEMBL6256758 0.84 NR1H4 (0.50) ELANENR1H4KMT2A
SCHEMBL3835251 0.84 NR1H4 (0.44) ELANEKDM4ENR1H4ALDH1A1
SCHEMBL3836167 0.84 NR1H4 (0.45) ELANECYP2C19KDM4ENR1H4ALDH1A1
SCHEMBL6986488 0.83 GAA (0.36) ELANEKDM4EPKMALDH1A1MEN1

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