SCHEMBL28435575

SCHEMBL28435575

CCC[N+](C)(C)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.42
SPHK1 Q9NYA1 8/20 0.39
SPHK2 Q9NRA0 7/20 0.39
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.37
CHRNA9 Q9UGM1 1/20 0.37
CYP1A2 P05177 1/20 0.36
SHBG P04278 1/20 0.32
SLC22A1 O15245 1/20 0.30
TNF P01375 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
Bromide SCHEMBL28273115 0.98 BBOX1 (0.41) BBOX1SPHK1SPHK2CHRNB4CHRNA3
SCHEMBL7938662 0.86 BBOX1 (0.48) BBOX1SPHK1SPHK2CHRNB4CHRNA3
SCHEMBL21837354 0.86 BBOX1 (0.48) BBOX1SPHK1SPHK2CHRNB4CHRNA3
Water SCHEMBL21837351 0.84 BBOX1 (0.47) BBOX1SPHK1SPHK2CHRNB4CHRNA3
Water SCHEMBL21837356 0.84 BBOX1 (0.47) BBOX1SPHK1SPHK2CHRNB4CHRNA3
SCHEMBL1356921 0.84 BBOX1 (0.47) BBOX1SPHK1SPHK2CYP1A2SLC22A1
SCHEMBL10438442 0.82 BBOX1 (0.46) BBOX1SPHK1SPHK2SLC22A1
SCHEMBL10608585 0.82 BBOX1 (0.46) BBOX1SPHK1SPHK2SLC22A1
SCHEMBL10438371 0.82 BBOX1 (0.46) BBOX1SPHK1SPHK2SLC22A1
SCHEMBL10438439 0.82 BBOX1 (0.46) BBOX1SPHK1SPHK2SLC22A1

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-108529641-B Zeolite molecular sieve with multistage pore canals and preparation method thereof 北京航空航天大学 2020-08-04 CN claimed
CN-110054197-B Zeolite molecular sieve, preparation method thereof and radionuclide strontium adsorption composition 北京航空航天大学 2021-01-15 CN disclosed
CN-108529641-B Zeolite molecular sieve with multistage pore canals and preparation method thereof 北京航空航天大学 2020-08-04 CN disclosed