SCHEMBL1699735

SCHEMBL1699735

CCOc1ccc2c(n1)CCCC2.CCOc1ccnc2c1CCCC2=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
TP53 P04637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.31
TSHR P16473 2/20 0.31
GAA P10253 1/20 0.31
DRD2 P14416 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL10286147 0.83 ALDH1A1 (0.41) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL526812 0.83 SMN1; SMN2 (0.39) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL4173286 0.78 ADRA2A (0.46) MAPTSMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL10286602 0.76 GPR174 (0.35) MAPTSMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL10286107 0.71 RXFP1 (0.39) MAPTSMN1; SMN2TP53KDM4EALDH1A1
SCHEMBL10286502 0.71 ALDH1A1 (0.39) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL4426496 0.70 GRM5 (0.44) MAPTSMN1; SMN2TSHRLMNA
SCHEMBL10286613 0.70 ALDH1A1 (0.42) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL10286198 0.70 ALDH1A1 (0.42) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL526092 0.70 SMN1; SMN2 (0.43) MAPTSMN1; SMN2ADRA2ATP53MEN1

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-2588456-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES Syngenta Participations AG (CH) 2013-05-08 EP disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 WO disclosed