SCHEMBL8717028

SCHEMBL8717028

CCOC(=O)c1ccc(N)cc1OC(=O)c1cc(N)ccc1OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
GAA P10253 4/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 3/20 0.44
CYP3A4 P08684 1/20 0.44
MAOA P21397 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6588826 0.90 LMNA (0.53) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL4001016 0.87 CYP1A2 (0.58) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL16005488 0.82 CYP1A2 (0.50) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL10334181 0.79 LMNA (0.50) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL8442291 0.79 LMNA (0.50) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL24074336 0.79 ALDH1A1 (0.56) GAAMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL755147 0.79 ALDH1A1 (0.63) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL1671606 0.79 LMNA (0.53) CYP1A2GAAMAPTKDM4ELMNA
SCHEMBL1672276 0.78 CYP1A2 (0.46) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL2888716 0.78 TSHR (0.60) CYP1A2CYP2D6SCN1ASCN2ASCN3A

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-0870082-A1 ENZYMATIC METHOD FOR DYEING NOVO NORDISK BIOCHEM NORTH AMERICA (US) 1998-10-14 EP disclosed
WO-1997023684-A1 ENZYMATIC METHOD FOR DYEING NOVO NORDISK BIOCHEM NORTH AMERICA, INC. (US) 1997-07-03 WO disclosed