SCHEMBL7090352

SCHEMBL7090352

CCCCC1(CCCC)C(=O)[SH]c2cc(O)c(SC)cc2N(c2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.48
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GPR55 Q9Y2T6 2/20 0.36
CNR1 P21554 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 5/20 0.35
CYP2C19 P33261 2/20 0.35
SLC6A2 P23975 3/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 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
SCHEMBL6618785 0.84 ELANE (0.43) ELANEKDM4EPKMLMNASMN1; SMN2
SCHEMBL7087685 0.82 ELANE (0.54) ELANEKDM4EPKMLMNASMN1; SMN2
SCHEMBL7087824 0.81 ELANE (0.46) ELANEKDM4EPKMLMNASMN1; SMN2
SCHEMBL6991971 0.80 ELANE (0.48) ELANEKDM4EPKMLMNASMN1; SMN2
SCHEMBL6994314 0.78 ELANE (0.52) ELANEKDM4EPKMLMNASMN1; SMN2
SCHEMBL7086934 0.77 ELANE (0.38) ELANENPSR1GPR55MEN1KMT2A
SCHEMBL6250345 0.77 NR1H4 (0.52) ELANEKDM4EPKMMEN1KMT2A
SCHEMBL4941410 0.74 NR1H4 (0.38) ELANE
SCHEMBL6629929 0.74 NR1H4 (0.45) ELANEKDM4EPKMMEN1KMT2A
SCHEMBL6527603 0.74 NR1H4 (0.45) ELANECYP2C19

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