SCHEMBL7758231

SCHEMBL7758231

C[CH]OC(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
PHLPP2 Q6ZVD8 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HSD17B10 Q99714 2/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 3/20 0.40
TP53 P04637 1/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 1/20 0.40
APP P05067 1/20 0.39
PTGS2 P35354 1/20 0.38

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
SCHEMBL8332168 0.84 MAPT (0.44) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL14556308 0.81 MAPT (0.50) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL4915335 0.79 MAPT (0.53) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL11787514 0.78 ALDH1A1 (0.50) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL14626606 0.78 MAPT (0.47) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL28213828 0.76 MAPT (0.46) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL17106594 0.75 MAPT (0.45) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL735218 0.75 MAPT (0.45) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL2027813 0.75 MAPT (0.45) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL11592383 0.75 NPC1 (0.50) MAPTL3MBTL1MAPK1CYP1A2CYP3A4

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-0661291-B1 Solid phase synthesis of oligoribonucleotide AVENTIS PHARMA GMBH (DE) 2001-03-07 EP disclosed
EP-0661291-A1 Solid phase synthesis of oligoribonucleotide HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed