SCHEMBL30744906

SCHEMBL30744906

CCN(CC)CCC(CN(CC)CC)NCCCOC

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.32
PLA2G2A P14555 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
SLC22A1 O15245 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL30744907 0.77 PIK3CD (0.32) ALDH1A1
SCHEMBL13384870 0.70 SLC6A4 (0.41) ALDH1A1
SCHEMBL28240784 0.68 SLC6A4 (0.37) ALDH1A1
SCHEMBL1018851 0.68 ALDH1A1 (0.41) ALDH1A1
SCHEMBL19087137 0.67 PLA2G2A (0.38) PLA2G2AALDH1A1
SCHEMBL19212974 0.67 SLC22A1 (0.35) PLA2G1BPLA2G2AL3MBTL1SLC22A1ALDH1A1
Fluoride SCHEMBL15361776 0.66 ALDH1A1 (0.40) ALDH1A1
Water SCHEMBL15361516 0.66 ALDH1A1 (0.40) ALDH1A1
Bromide SCHEMBL15361748 0.66 ALDH1A1 (0.40) ALDH1A1
SCHEMBL11145596 0.66 ALDH1A1 (0.48) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117504537-A Carbon dioxide trapping agent and application thereof 浙江工业大学 2024-02-06 CN disclosed