SCHEMBL6758772

SCHEMBL6758772

O=C(NC1C([N+](=O)[O-])CCCC1[N+](=O)[O-])OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.50
EPHX1 P07099 1/20 0.50
CPB1 P15086 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
CASP3 P42574 1/20 0.45
TLR4 O00206 1/20 0.45

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
SCHEMBL2187150 0.86 EPHX1 (0.52) ALDH1A1GAATSHREPHX1CPB1
SCHEMBL26077290 0.82 ALDH1A1 (0.61) ALDH1A1GAATSHREPHX1CPB1
Cyclobutylcarbamic Acid Benzyl Ester SCHEMBL332814 0.78 EPHX1 (0.76) ALDH1A1GAATSHREPHX1MEN1
Cyclobutylcarbamic Acid Benzyl Ester SCHEMBL579215 0.76 EPHX1 (0.74) ALDH1A1GAATSHREPHX1MEN1
SCHEMBL24515807 0.76 CASP3 (0.62) ALDH1A1GAATSHREPHX1CPB1
SCHEMBL4496128 0.76 CASP3 (0.62) ALDH1A1GAATSHREPHX1CPB1
SCHEMBL1987980 0.75 ALDH1A1 (0.56) ALDH1A1GAATSHREPHX1CPB1
SCHEMBL12564542 0.75 ALDH1A1 (0.56) ALDH1A1GAATSHREPHX1CPB1
SCHEMBL30468855 0.75 ALDH1A1 (0.56) ALDH1A1GAATSHREPHX1CPB1
SCHEMBL5442666 0.75 EPHX1 (0.68) ALDH1A1GAATSHREPHX1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6703190-B2 Method for producing resist structures INFINEON TECHNOLOGIES AG (DE) 2004-03-09 US claimed
US-20030008240-A1 Method for producing resist structures POLARIS INNOVATIONS LIMITED (IE) 2003-01-09 US claimed
EP-1247141-A1 CREATION OF RESIST STRUCTURES Infineon Technologies AG (DE) 2002-10-09 EP claimed
WO-2001042860-A1 CREATION OF RESIST STRUCTURES INFINEON TECHNOLOGIES AG (DE) 2001-06-14 WO claimed
WO-2001042859-A1 PRODUCTION OF RESIST STRUCTURES INFINEON TECHNOLOGIES AG (DE) 2001-06-14 WO claimed
US-6703190-B2 Method for producing resist structures INFINEON TECHNOLOGIES AG (DE) 2004-03-09 US disclosed
US-20030008240-A1 Method for producing resist structures POLARIS INNOVATIONS LIMITED (IE) 2003-01-09 US disclosed