SCHEMBL620125

SCHEMBL620125

O=[N+]([O-])C(CCCCc1ccccc1)OC(CCCCc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
MAOA P21397 1/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAOB P27338 1/20 0.39
PKM P14618 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL3191406 0.98 TRPA1 (0.43) TRPA1S1PR2S1PR4S1PR1S1PR3
SCHEMBL8580647 0.98 TRPA1 (0.43) TRPA1S1PR2S1PR4S1PR1S1PR3
SCHEMBL896259 0.98 TRPA1 (0.43) TRPA1S1PR2S1PR4S1PR1S1PR3
SCHEMBL8579303 0.98 TRPA1 (0.43) TRPA1S1PR2S1PR4S1PR1S1PR3
SCHEMBL7165226 0.98 TRPA1 (0.43) TRPA1S1PR2S1PR4S1PR1S1PR3
SCHEMBL10980609 0.79 TRPA1 (0.46) TRPA1S1PR2S1PR4S1PR1S1PR3
SCHEMBL5594547 0.77 CPA1 (0.47)
SCHEMBL3969389 0.75 TRPA1 (0.47) TRPA1MAPTRXFP1PKMHDAC3
SCHEMBL5609700 0.75 FDFT1 (0.47) MAOAMAPTRXFP1HDAC3HDAC4
SCHEMBL19326616 0.75 SIGMAR1 (0.45) TRPA1MAOAMAPTRXFP1HDAC3

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