SCHEMBL28916622

SCHEMBL28916622

NCC(C[Se]CC(CN)CC(=O)O)CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.54
CACNB3 P54284 1/20 0.54
CACNA1C Q13936 1/20 0.54
PGR P06401 1/20 0.54
ADRA1A P35348 1/20 0.54
HTR2B P41595 1/20 0.54
CACNA2D2 Q9NY47 1/20 0.54
LMNA P02545 3/20 0.46
GABRR1 P24046 2/20 0.46
GABBR2 O75899 4/20 0.36
GABBR1 Q9UBS5 4/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GLRA1 P23415 1/20 0.35
SLC6A9 P48067 1/20 0.35
OR51E2 Q9H255 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C9 P11712 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL7907883 0.82
SCHEMBL24653140 0.82 CACNA2D1 (0.65) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL27799587 0.75
SCHEMBL27711954 0.75
SCHEMBL28766834 0.73 CACNA2D1 (0.56) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5322429 0.73
SCHEMBL28993340 0.73
SCHEMBL23391156 0.73
SCHEMBL28916626 0.73
Hydrochloric Acid SCHEMBL28671037 0.71 CACNA2D1 (0.59) CACNA2D1CACNB3CACNA1CPGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115505054-A Modified epoxidized rubber and preparation method and application thereof 江苏麒祥高新材料有限公司 2022-12-23 CN claimed
WO-2024060640-A1 MODIFIED EPOXIDIZED RUBBER, PREPARATION METHOD THEREFOR, AND USE THEREOF 江苏麒祥高新材料有限公司 2024-03-28 WO disclosed
CN-115505054-A Modified epoxidized rubber and preparation method and application thereof 江苏麒祥高新材料有限公司 2022-12-23 CN disclosed