SCHEMBL8197262

SCHEMBL8197262

CC(C)(C)OC(=O)NCCCNC(=O)c1ccc2c(c1)-c1ccccc1C(=O)C2=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 5/20 0.71
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54
CTSL P07711 1/20 0.52
PTPN13 Q12923 1/20 0.52
MALT1 Q9UDY8 1/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
S100A4 P26447 1/20 0.47
TERT O14746 2/20 0.46
KMT2A Q03164 2/20 0.46
KCNA5 P22460 1/20 0.44
ALDH1A1 P00352 3/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
HPGD P15428 2/20 0.44
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44

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
SCHEMBL8201092 0.94 PTPRC (0.65) PTPRCGRIN1GRIN2AGRIN2BCTSL
SCHEMBL2601917 0.89 PTPRC (0.68) PTPRCGRIN1GRIN2AGRIN2BCTSL
SCHEMBL20978557 0.84 PTPRC (0.61) PTPRCGRIN1GRIN2AGRIN2BCTSL
SCHEMBL6260964 0.83 PTPRC (1.00) PTPRCGRIN1GRIN2AGRIN2BCTSL
SCHEMBL16152246 0.81 SMN1; SMN2 (0.60) KMT2AALDH1A1SMN1; SMN2MEN1POLB
SCHEMBL14158944 0.81 ALDH1A1 (0.57) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL6261925 0.81 PTPRC (1.00) PTPRCGRIN1GRIN2AGRIN2BCTSL
SCHEMBL22121387 0.81 HDAC3 (0.59) KMT2ADRD2DRD3MEN1
SCHEMBL1467340 0.80 NAAA (0.56) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL22767691 0.78 TDP1 (0.56) KMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0820483-A1 METHOD OF PHOTOCHEMICAL IMMOBILIZATION OF LIGANDS USING QUINONES Jakobsen, Mogens Havsteen (DK) 1998-01-28 EP disclosed
WO-1996031557-A1 METHOD OF PHOTOCHEMICAL IMMOBILIZATION OF LIGANDS USING QUINONES JACOBSEN MOGENS HAVSTEEN (DK) 1996-10-10 WO disclosed