SCHEMBL29008752

SCHEMBL29008752

CCC(CC)(C(=O)OC)C(=O)OCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.36
MMP8 P22894 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PRKCA P17252 1/20 0.32
GPR35 Q9HC97 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 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
SCHEMBL888583 0.94 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1MMP8L3MBTL1
SCHEMBL9052829 0.88 MMP8 (0.43) TSHRSMN1; SMN2ALDH1A1MMP8L3MBTL1
SCHEMBL5526857 0.84 TSHR (0.39) TSHRSMN1; SMN2ALDH1A1MMP8L3MBTL1
SCHEMBL28557115 0.80 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL809243 0.80 DGAT1 (0.40) TSHRALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL10358539 0.79 MMP8 (0.47) TSHRSMN1; SMN2ALDH1A1MMP8L3MBTL1
SCHEMBL27817463 0.79 TSHR (0.36) TSHRSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL29008744 0.79 MEN1 (0.48) TSHRSMN1; SMN2ALDH1A1MMP8L3MBTL1
SCHEMBL29674742 0.78 DGAT1 (0.39) TSHRALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL28725041 0.78 DGAT1 (0.48) TSHRSMN1; SMN2ALDH1A1MMP8KDM4E

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-113912755-B Catalyst composition for olefin polymerization and application thereof 张一锴 2023-06-02 CN disclosed