SCHEMBL29997828

SCHEMBL29997828

CCCC(=O)COCCOCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 3/20 0.41
CES2 O00748 3/20 0.35
EPHX2 P34913 1/20 0.35
PLA2G4B P0C869 3/20 0.33
CES1 P23141 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
ACHE P22303 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
SCHEMBL17425354 0.83 CES2 (0.48) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7243144 0.83 MEN1 (0.50) MEN1KMT2ATHRBHTTMAPT
SCHEMBL16421152 0.82 CES2 (0.34) THRBMAPTTSHRALDH1A1CES2
SCHEMBL23983002 0.79 NAAA (0.46) THRBHTTTSHRALDH1A1CES2
SCHEMBL28145928 0.78 CES2 (0.52) TSHRALDH1A1CES2PLA2G4BCES1
Hexaethylene Glycol SCHEMBL10954529 0.78 FFAR3 (0.59) MEN1KMT2ATHRBHTTMAPT
Triethylene Glycol SCHEMBL3693562 0.78 FFAR3 (0.59) MEN1KMT2ATHRBHTTMAPT
Triethylene Glycol SCHEMBL5897768 0.78 FFAR3 (0.59) MEN1KMT2ATHRBHTTMAPT
Tetraethylene Glycol SCHEMBL28861486 0.78 FFAR3 (0.59) MEN1KMT2ATHRBHTTMAPT
SCHEMBL10072103 0.78 MEN1 (0.55) MEN1KMT2ATHRBHTTMAPT

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-115209897-A Rapamycin analogs and uses thereof 安纳库利亚治疗公司 2022-10-18 CN disclosed