SCHEMBL28635287

SCHEMBL28635287

CCC(CO)(COC(=O)CCCCC(=O)OCC(CC)(CO)[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.37
PAM P19021 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
DUSP3 P51452 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PRKCA P17252 3/20 0.34
CYP1A2 P05177 1/20 0.33
TSHR P16473 2/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
MAPT P10636 1/20 0.33
DNM1 Q05193 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL28645178 0.94 PAM (0.37) DGKAPAMMEN1KMT2ATSHR
SCHEMBL6516909 0.78 NAAA (0.34) KMT2ACYP1A2ALDH1A1
SCHEMBL15798231 0.77 THRB (0.39) TSHRALDH1A1
SCHEMBL28570150 0.77 DGKA (0.35) DGKAPAMLMNAKDM4EDUSP3
SCHEMBL15798136 0.76 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4
Adipic Acid SCHEMBL29215200 0.76 AKR1B1 (0.43) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL17589322 0.75 LMNA (0.35) LMNA
SCHEMBL11432862 0.75 ALDH1A1 (0.39) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL1117414 0.74 LMNA (0.44) LMNATSHRALDH1A1TDP1
SCHEMBL6533356 0.74 LMNA (0.44) LMNATSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110452366-B Poly (2-ethyl-2-nitropropanediol adipate), preparation method and application thereof 西安近代化学研究所 2021-10-01 CN claimed
CN-110452366-B Poly (2-ethyl-2-nitropropanediol adipate), preparation method and application thereof 西安近代化学研究所 2021-10-01 CN disclosed
CN-110452366-B Poly (2-ethyl-2-nitropropanediol adipate), preparation method and application thereof 西安近代化学研究所 2021-10-01 CN disclosed
CN-110452366-B Poly (2-ethyl-2-nitropropanediol adipate), preparation method and application thereof 西安近代化学研究所 2021-10-01 CN disclosed