SCHEMBL23322452

SCHEMBL23322452

C=CC(CCCc1ccccc1C1CCCC1)S(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
NAAA Q02083 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PTGS2 P35354 1/20 0.32
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 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
SCHEMBL23322482 0.99 NAAA (0.35) SLC6A2SLC6A4SLC6A3NAAAPTGDR2
SCHEMBL23322429 0.81 PTGS2 (0.36) SLC6A2SLC6A4SLC6A3NAAAPTGDR2
SCHEMBL23322374 0.80 PTGS2 (0.39) SLC6A2SLC6A4SLC6A3NAAAPTGDR2
SCHEMBL23322410 0.78 PTGES2 (0.37)
SCHEMBL23322368 0.76 DRD2 (0.38) NAAA
SCHEMBL23322408 0.75 MGLL (0.40) SLC6A2SLC6A4SLC6A3NAAAPTGDR2
SCHEMBL23322362 0.74 NAAA (0.36) SLC6A2SLC6A4SLC6A3NAAAPTGDR2
SCHEMBL23322392 0.74 PTGDR2 (0.40) NAAAPTGDR2PTGS2HDAC3HDAC1
SCHEMBL23322358 0.74 NAAA (0.37) SLC6A2SLC6A4SLC6A3NAAAPTGDR2
SCHEMBL23322485 0.73 GRIK1 (0.41) SLC6A3HDAC3HDAC1

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