SCHEMBL28463174

SCHEMBL28463174

CC[N+](CC)(CCCCO)CCCCO

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.50
SLC22A1 O15245 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
SLC22A2 O15244 1/20 0.45
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
HIF1A Q16665 1/20 0.41

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
Water SCHEMBL3302989 0.97 DNM1 (0.48) DNM1SLC22A1SMN1; SMN2SLC22A2ALDH1A1
SCHEMBL28461185 0.94 DNM1 (0.50) DNM1SLC22A1SMN1; SMN2SLC22A2ALDH1A1
SCHEMBL1686201 0.94 DNM1 (0.57) DNM1SLC22A1SMN1; SMN2SLC22A2ALDH1A1
Water SCHEMBL3307120 0.92 DNM1 (0.55) DNM1SLC22A1SMN1; SMN2SLC22A2ALDH1A1
SCHEMBL10600603 0.92 DNM1 (0.62) DNM1SLC22A1SMN1; SMN2SLC22A2ALDH1A1
Water SCHEMBL3305378 0.92 DNM1 (0.48) DNM1SLC22A1SMN1; SMN2SLC22A2ALDH1A1
SCHEMBL7297733 0.92 DNM1 (0.62) DNM1SLC22A1SMN1; SMN2SLC22A2ALDH1A1
Bromide SCHEMBL17458752 0.89 DNM1 (0.64) DNM1SLC22A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL10002123 0.88 DNM1 (0.50) DNM1SLC22A1SMN1; SMN2SLC22A2ALDH1A1
Water SCHEMBL3308247 0.88 DNM1 (0.43) DNM1SLC22A1SMN1; SMN2SLC22A2ALDH1A1

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-106398581-B Antistatic agent for adhesive 第一工业制药株式会社 2020-06-23 CN disclosed