SCHEMBL23322366

SCHEMBL23322366

O=S(=O)(O)CCCCc1cccc(C2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.44
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
MGLL Q99685 1/20 0.42
NAAA Q02083 1/20 0.41
ASAH1 Q13510 1/20 0.41
DRD2 P14416 4/20 0.40
DRD3 P35462 2/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
EPHX1 P07099 2/20 0.38
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 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
SCHEMBL23322356 0.99 MGLL (0.44) KMOHDAC4HDAC2HDAC8MGLL
SCHEMBL23322386 0.99 HDAC4 (0.43) KMOHDAC4HDAC2HDAC8MGLL
SCHEMBL23322364 0.97 MGLL (0.45) KMOHDAC4HDAC2HDAC8MGLL
SCHEMBL23322380 0.83 PTGES2 (0.44) MGLLFFAR4
SCHEMBL23322451 0.82 SPHK1 (0.44) MGLLFFAR4
SCHEMBL23322466 0.81 PTGES2 (0.45) MGLLFFAR4
SCHEMBL23322329 0.81 KMO (0.40) KMOHDAC4HDAC2HDAC8NAAA
SCHEMBL23322479 0.81 KMO (0.42) KMOHDAC4HDAC2HDAC8NAAA
SCHEMBL23322526 0.80 SPHK1 (0.46) MGLLFFAR4
SCHEMBL23322475 0.80 KMO (0.41) KMOHDAC4HDAC2HDAC8NAAA

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