SCHEMBL883087

SCHEMBL883087

COC(=O)Cc1cc2c(nc1C)C(=O)CCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NLRP3 Q96P20 2/20 0.36
GSTP1 P09211 1/20 0.36
KDM4E B2RXH2 7/20 0.36
GAA P10253 2/20 0.36
KDM5B Q9UGL1 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 5/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
MEN1 O00255 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 2/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL10286632 0.80 HSD17B1 (0.37) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL10286109 0.77 HSD17B1 (0.34) GSTP1KDM4E
SCHEMBL7912975 0.77 ACHE (0.46) NPC1RAB9AKDM4EGAALMNA
SCHEMBL7902989 0.74 ACHE (0.46) MAPTNPC1RAB9AKDM4EGAA
SCHEMBL10286580 0.73 ALDH1A1 (0.44) MAPTNPC1KDM4EGAAALDH1A1
SCHEMBL10286478 0.72 MAOA (0.39) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL10286474 0.72 KDM4E (0.33) NPC1RAB9AKDM4ELMNAALDH1A1
SCHEMBL3201833 0.71 KMT2A (0.44) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL10286484 0.70 BAZ2B (0.31) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL10286115 0.70 ALDH1A1 (0.41) MAPTNPC1KDM4EGAAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 WO disclosed
WO-2012013754-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-02-02 WO disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 WO disclosed