SCHEMBL29024901

SCHEMBL29024901

CCCCCCCCCCCCCCCCCCC(CCC(=O)OCCCC)N(C)C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.51
DNM1 Q05193 1/20 0.51
NAAA Q02083 1/20 0.47
HTR2C P28335 1/20 0.46
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
MAPT P10636 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PAM P19021 2/20 0.40
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL15027792 0.84 DGKA (0.56) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL8780794 0.79 DNM1 (0.45) DGKADNM1NAAAHTR2CMAPT
SCHEMBL4271768 0.79 MAPT (0.58) DGKADNM1MAPTALDH1A1LMNA
SCHEMBL23781853 0.79 DNM1 (0.45) DGKADNM1NAAAHTR2CMAPT
SCHEMBL18632683 0.79 NAAA (0.53) DGKADNM1NAAAHTR2CPRSS1
Bicarbonate SCHEMBL10006738 0.77 GPR84 (0.52) MAPTALDH1A1MEN1KMT2A
Bicarbonate SCHEMBL32662845 0.77 GPR84 (0.52) MAPTALDH1A1MEN1KMT2A
SCHEMBL19792370 0.77 DGKA (0.53) DGKADNM1NAAAHTR2CPRSS1
SCHEMBL13238135 0.77 DGKA (0.69) DGKADNM1NAAAHTR2CPRSS1
Acetic Acid SCHEMBL5613129 0.76 GPR84 (0.50) MAPTALDH1A1

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-116354993-A Reactive Oxygen Species (ROS) responsive cations and their use in siRNA delivery 中国科学院合肥物质科学研究院 2023-06-30 CN disclosed