SCHEMBL8580647

SCHEMBL8580647

O=[N+]([O-])C(CCCCCCCCCc1ccccc1)OC(CCCCCCCCCc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
S1PR2 O95136 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SIGMAR1 Q99720 7/20 0.41
MAOA P21397 1/20 0.39
TRPV1 Q8NER1 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
SCHEMBL896259 1.00 TRPA1 (0.43) TRPA1S1PR2S1PR4S1PR1S1PR3
SCHEMBL3191406 1.00 TRPA1 (0.43) TRPA1S1PR2S1PR4S1PR1S1PR3
SCHEMBL7165226 1.00 TRPA1 (0.43) TRPA1S1PR2S1PR4S1PR1S1PR3
SCHEMBL8579303 1.00 TRPA1 (0.43) TRPA1S1PR2S1PR4S1PR1S1PR3
SCHEMBL620125 0.98 TRPA1 (0.41) TRPA1S1PR2S1PR4S1PR1S1PR3
SCHEMBL10980609 0.81 TRPA1 (0.46) TRPA1S1PR2S1PR4S1PR1S1PR3
SCHEMBL3660415 0.76 TRPA1 (0.49) TRPA1S1PR2S1PR4S1PR1S1PR3
SCHEMBL6248797 0.76 TRPA1 (0.49) TRPA1S1PR2S1PR4S1PR1S1PR3
SCHEMBL3847839 0.76 TRPA1 (0.49) TRPA1S1PR2S1PR4S1PR1S1PR3
SCHEMBL3663770 0.76 TRPA1 (0.49) TRPA1S1PR2S1PR4S1PR1S1PR3

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 1 patent. 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