SCHEMBL5175136

SCHEMBL5175136

O=C(O)CCCCCCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.66
GRIN2A Q12879 1/20 0.66
GRIN2B Q13224 1/20 0.66
MAPK1 P28482 1/20 0.64
PTPRC P08575 2/20 0.61
CTSL P07711 1/20 0.61
PTPN13 Q12923 1/20 0.61
LMNA P02545 2/20 0.59
TERT O14746 2/20 0.58
POLB P06746 2/20 0.56
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NR1H4 Q96RI1 1/20 0.52
TTR P02766 1/20 0.51
ALDH1A1 P00352 2/20 0.51
CDC25A P30304 1/20 0.51
CDC25B P30305 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL5173579 1.00 GRIN1 (0.66) GRIN1GRIN2AGRIN2BMAPK1PTPRC
SCHEMBL14527855 0.99 GRIN1 (0.67) GRIN1GRIN2AGRIN2BMAPK1PTPRC
SCHEMBL20989432 0.88 GRIN1 (0.65) GRIN1GRIN2AGRIN2BMAPK1PTPRC
SCHEMBL7162862 0.86 GRIN1 (0.69) GRIN1GRIN2AGRIN2BPTPRCCTSL
SCHEMBL7160373 0.86 GRIN1 (0.69) GRIN1GRIN2AGRIN2BPTPRCCTSL
SCHEMBL7898620 0.84 GRIN1 (0.69) GRIN1GRIN2AGRIN2BPTPRCCTSL
SCHEMBL7160424 0.83 GRIN1 (0.68) GRIN1GRIN2AGRIN2BPTPRCCTSL
SCHEMBL13875721 0.82 GRIN1 (0.67) GRIN1GRIN2AGRIN2BPTPRCCTSL
SCHEMBL29781163 0.82 MAPK1 (0.64) MAPK1LMNAPOLBCYP1A2CYP2C9
SCHEMBL28854782 0.82 MAPK1 (0.64) MAPK1LMNAPOLBCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204866-B1 IMMUNOASSAY FOR PESTICIDES AND THEIR DEGRADATION PRODUCTS DANMARKS OG GROENLANDS GEOL UN (DK) 2007-05-23 EP disclosed
US-6635434-B1 Hapten-carrier complex comprising a 1,3-dihalo aromatic compound of given formula; dichlorobenil, chlorthiamid and 2,6-dichlorobenzamide; detection in soil and ground water EXIQON A/S (DK) 2003-10-21 US disclosed
EP-1204866-A2 IMMUNOASSAY FOR PESTICIDES AND THEIR DEGRADATION PRODUCTS Exiqon A/S (DK) 2002-05-15 EP disclosed
WO-2001007912-A2 IMMUNOASSAY FOR PESTICIDES AND THEIR DEGRADATION PRODUCTS EXIQON A/S (US) 2001-02-01 WO disclosed
EP-0820483-B1 METHOD OF PHOTOCHEMICAL IMMOBILIZATION OF LIGANDS USING QUINONES JAKOBSEN MOGENS HAVSTEEN (DK) 2000-12-13 EP disclosed
US-6033784-A Method of photochemical immobilization of ligands using quinones JAKOBSEN MOGENS HAVSTEEN (DK) 2000-03-07 US disclosed