SCHEMBL23322362

SCHEMBL23322362

O=S(=O)(O)C=CCCCc1ccccc1C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
PTGS2 P35354 1/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
CYSLTR2 Q9NS75 2/20 0.30
CYSLTR1 Q9Y271 2/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
HCRTR2 O43614 2/20 0.30
TBXA2R P21731 3/20 0.30

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
SCHEMBL23322376 0.99 NAAA (0.37) NAAAPTGDR2PTGS2SLC6A2SLC6A4
SCHEMBL23322449 0.87 PTGS2 (0.36) NAAAPTGDR2PTGS2SLC6A2SLC6A4
SCHEMBL23322481 0.86 PTGS2 (0.38) NAAAPTGDR2PTGS2SLC6A2SLC6A4
SCHEMBL23322408 0.79 MGLL (0.40) NAAAPTGDR2PTGS2SLC6A2SLC6A4
SCHEMBL23322430 0.78 MGLL (0.42) NAAAPTGDR2PTGS2SLC6A2SLC6A4
SCHEMBL23322392 0.78 PTGDR2 (0.40) NAAAPTGDR2PTGS2HDAC3HDAC1
SCHEMBL23322358 0.78 NAAA (0.37) NAAAPTGDR2PTGS2SLC6A2SLC6A4
SCHEMBL23322375 0.77 MGLL (0.41) NAAAPTGDR2PTGS2HDAC3HDAC1
SCHEMBL23322346 0.77 PTGDR2 (0.39) NAAAPTGDR2PTGS2SLC6A2SLC6A4
SCHEMBL23322347 0.77 PTGES2 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210384554-A1 LITHIUM SECONDARY BATTERY ELECTROLYTE FOR REDUCING INTERNAL RESISTANCE OF BATTERY AND LITHIUM SECONDARY BATTERY GUANGZHOU TINCI MATERIALS TECHNOLOGY CO., LTD. (CN) 2021-12-09 US disclosed
EP-3819976-A1 LITHIUM SECONDARY BATTERY ELECTROLYTE FOR REDUCING INTERNAL RESISTANCE OF BATTERY AND LITHIUM SECONDARY BATTERY Guangzhou Tinci Materials Technology Co., Ltd (CN) 2021-05-12 EP disclosed