SCHEMBL620126

SCHEMBL620126

O=[N+]([O-])C(CCCCOCCCCC(c1ccccc1)[N+](=O)[O-])c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.39
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADAM17 P78536 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP19A1 P11511 1/20 0.33
BCHE P06276 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
KCNA3 P22001 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 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
SCHEMBL3191417 0.98 GSR (0.38) GSRNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8580652 0.98 GSR (0.38) GSRNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7165230 0.98 GSR (0.38) GSRNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL896260 0.98 GSR (0.38) GSRNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL17966116 0.98 GSR (0.38) GSRNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8579305 0.98 GSR (0.38) GSRNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11743451 0.80 NAAA (0.41) MEN1KMT2ACYP19A1HTR2AALDH1A1
SCHEMBL8089501 0.79 POLB (0.43) GSRNPC1ADAM17ALDH1A1LMNA
SCHEMBL5610024 0.79 FOLH1 (0.40) GSRNPC1MEN1KMT2AADAM17
SCHEMBL5594550 0.77 GSR (0.44) GSRNPC1SMN1; SMN2MEN1KMT2A

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