SCHEMBL23322348

SCHEMBL23322348

C=C(CCCc1ccc(C2CCCC2)cc1)S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 10/20 0.41
PTGES2 Q9H7Z7 1/20 0.40
SPHK1 Q9NYA1 2/20 0.38
RORC P51449 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL23322371 0.99 FFAR4 (0.41) FFAR4PTGES2RORCS1PR1S1PR3
SCHEMBL23322396 0.84 HDAC4 (0.40) FFAR4S1PR1S1PR3S1PR5
SCHEMBL23322479 0.83 KMO (0.42) FFAR4S1PR1S1PR3S1PR5
SCHEMBL23322466 0.78 PTGES2 (0.45) FFAR4PTGES2SPHK1RORC
SCHEMBL442370 0.77 HAO1 (0.47) FFAR4S1PR1S1PR3S1PR5
SCHEMBL23322526 0.77 SPHK1 (0.46) FFAR4PTGES2SPHK1S1PR1S1PR3
SCHEMBL23322380 0.77 PTGES2 (0.44) FFAR4PTGES2SPHK1RORCLMNA
SCHEMBL7101616 0.76 FFAR4 (0.60) FFAR4S1PR1S1PR3S1PR5SMN1; SMN2
SCHEMBL23322451 0.75 SPHK1 (0.44) FFAR4PTGES2SPHK1RORCS1PR1
SCHEMBL23322365 0.75 NAAA (0.36)

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