SCHEMBL620124

SCHEMBL620124

CCCCC(OC(CCCC)(c1ccccc1)[N+](=O)[O-])(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.37
KIF11 P52732 1/20 0.37
ESR2 Q92731 3/20 0.35
CES2 O00748 3/20 0.33
CES1 P23141 3/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TLR4 O00206 1/20 0.32
TLR2 O60603 1/20 0.32
ESR1 P03372 1/20 0.32
LTA4H P09960 1/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL7165223 0.95 HSP90AA1 (0.41) HSP90AA1KIF11ESR2CES2CES1
SCHEMBL8580645 0.94 HSP90AA1 (0.43) HSP90AA1ESR2CES2CES1TSHR
SCHEMBL8579302 0.94 HSP90AA1 (0.43) HSP90AA1ESR2CES2CES1TSHR
SCHEMBL3191399 0.94 HSP90AA1 (0.43) HSP90AA1ESR2CES2CES1TSHR
SCHEMBL896258 0.94 HSP90AA1 (0.43) HSP90AA1ESR2CES2CES1TSHR
SCHEMBL3969392 0.73 KIF11 (0.42) HSP90AA1KIF11ESR2CES2CES1
SCHEMBL27472373 0.73 KIF11 (0.36) HSP90AA1KIF11ESR2CES2CES1
SCHEMBL10980604 0.72 HSP90AA1 (0.45) HSP90AA1KIF11CES2CES1SIGMAR1
SCHEMBL3490104 0.71 ALDH1A1 (0.31) LMNA
SCHEMBL19326612 0.70 LMNA (0.35) HSP90AA1KIF11CES2CES1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998010852-A1 SUPPORTED LIQUID MEMBRANE SEPARATION COMMODORE SEPARATION TECHNOLOGIES, INC. (US) 1998-03-19 WO claimed
WO-1997040904-A1 SUPPORTED LIQUID MEMBRANE SEPARATION COMMODORE SEPARATION TECHNOLOGIES, INC. (US) 1997-11-06 WO claimed
WO-2012071629-A1 DEVICE AND PROCESS FOR PASSIVE SAMPLING THE UNIVERSITY OF MELBOURNE (AU) 2012-06-07 WO disclosed
WO-2012019243-A1 PROCESS FOR TREATING THIOCYANATE CONTAINING AQUEOUS SOLUTIONS THE UNIVERSITY OF MELBOURNE (AU) 2012-02-16 WO disclosed
US-6096217-A Supported liquid membrane separation LOCKHEED MARTIN ENERGY RESEARCH CORPORATION (US) 2000-08-01 US disclosed
US-6086769-A Supported liquid membrane separation COMMODORE SEPARATION TECHNOLOGIES, INC. (US) 2000-07-11 US disclosed
WO-1998010852-A1 SUPPORTED LIQUID MEMBRANE SEPARATION COMMODORE SEPARATION TECHNOLOGIES, INC. (US) 1998-03-19 WO disclosed
WO-1997040904-A1 SUPPORTED LIQUID MEMBRANE SEPARATION COMMODORE SEPARATION TECHNOLOGIES, INC. (US) 1997-11-06 WO disclosed