SCHEMBL28601598

SCHEMBL28601598

OB(O)c1ccccc1C1(C2CCCC2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 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
SCHEMBL2589110 0.82 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL28465330 0.75 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL9004261 0.75 HDAC4 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL9797247 0.74 HDAC4 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL944385 0.73 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL28576602 0.73 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL4379605 0.72 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL28428232 0.72 SLC6A3 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL11041604 0.71 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL3483657 0.71 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3

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
CN-113149839-B Self-aligned liquid crystal medium compound and application thereof 北京八亿时空液晶科技股份有限公司 2022-02-22 CN disclosed
CN-113149839-A Self-aligned liquid crystal medium compound and application thereof 北京八亿时空液晶科技股份有限公司 2021-07-23 CN disclosed