SCHEMBL31468942

SCHEMBL31468942

CCC(=O)ON(CCN(OC(=O)CC)OC(=O)CC)OC(=O)CC.[Na].[Na]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
NAAA Q02083 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
FFAR3 O14843 1/20 0.32
DNM1 Q05193 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
RECQL P46063 1/20 0.31
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
BLM P54132 1/20 0.30
WRN Q14191 1/20 0.30
HIF1A Q16665 1/20 0.30
CHRM2 P08172 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
SCHEMBL29613111 1.00 ALDH1A1 (0.36) ALDH1A1NAAATDP1FFAR3DNM1
SCHEMBL29364311 0.97 ALDH1A1 (0.38) ALDH1A1NAAATDP1FFAR3DNM1
Potassium SCHEMBL30901352 0.95 ALDH1A1 (0.36) ALDH1A1NAAATDP1FFAR3DNM1
SCHEMBL31676712 0.85 NAAA (0.40) ALDH1A1NAAADNM1
SCHEMBL20482544 0.83 ALDH1A1 (0.32) ALDH1A1NAAA
SCHEMBL168800 0.83 NAAA (0.48) NAAADNM1
SCHEMBL11196810 0.83 NAAA (0.48) NAAADNM1
SCHEMBL25211926 0.80 NAAA (0.50) ALDH1A1NAAADNM1
SCHEMBL25218755 0.80 NAAA (0.50) ALDH1A1NAAADNM1
SCHEMBL25198827 0.80 NAAA (0.50) ALDH1A1NAAADNM1

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-119684994-A Polymer oil displacement agent 中国石油化工股份有限公司 2025-03-25 CN disclosed