SCHEMBL6991971

SCHEMBL6991971

CCCCC1(CCCC)C(=O)Sc2cc(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 3/20 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
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
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

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
SCHEMBL6994314 0.96 ELANE (0.52) ELANEKDM4EPKMLMNASMN1; SMN2
SCHEMBL6983796 0.94 ELANE (0.39) ELANEKDM4EPKMALDH1A1CYP2C19
SCHEMBL6993818 0.84 ELANE (0.43) ELANEKDM4EPKMLMNASMN1; SMN2
SCHEMBL7090352 0.80 ELANE (0.48) ELANEKDM4EPKMLMNASMN1; SMN2
SCHEMBL6992847 0.78 ELANE (0.43) ELANEKDM4EPKMNPSR1GPR55
SCHEMBL6987830 0.77 ELANE (0.38) ELANENPSR1GPR55MEN1KMT2A
SCHEMBL6986467 0.74 ELANE (0.39) ELANEKDM4EPKMCYP2C19
SCHEMBL7512573 0.74 ELANE (0.44) ELANEKDM4EPKMLMNASMN1; SMN2
SCHEMBL14677996 0.74 NR1H4 (0.48) ELANEMEN1KMT2A
SCHEMBL3833715 0.74 NR1H4 (0.45) ELANEKDM4EALDH1A1CYP2C19

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