SCHEMBL30364188

SCHEMBL30364188

COCCN(CCOC)C(=O)CC(C)=O.COCCN(CCOC)C(=O)CC(C)=O.COCCN(CCOC)C(=O)CC(C)=O.[Fe+3]

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.39
▸ MGAM O43451 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 0.39
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MLYCD O95822 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HPGD P15428 2/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ TRPM8 Q7Z2W7 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALOX12 P18054 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
SCHEMBL15015782 0.98 GAA (0.41) GAAMGAMSIMGAM2POLB
SCHEMBL16266538 0.96 GAA (0.39) GAAMGAMSIMGAM2POLB
SCHEMBL15016394 0.96 GAA (0.39) GAAMGAMSIMGAM2POLB
SCHEMBL29381101 0.96 GAA (0.39) GAAMGAMSIMGAM2POLB
SCHEMBL16210750 0.92 MGAM (0.37) GAAMGAMSIMGAM2POLB
SCHEMBL16266537 0.80 POLB (0.34) POLBL3MBTL1MLYCDALDH1A1LMNA
SCHEMBL15512679 0.78 POLB (0.35) POLBL3MBTL1MLYCDALDH1A1LMNA
SCHEMBL18279565 0.78 POLB (0.35) POLBL3MBTL1MLYCDALDH1A1LMNA
SCHEMBL18279563 0.78 POLB (0.35) POLBL3MBTL1MLYCDALDH1A1LMNA
SCHEMBL19820850 0.77 POLB (0.35) GAAMGAMSIMGAM2POLB

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-112088182-B Structural two-component adhesives 汉高股份有限及两合公司 2023-05-05 — — CN disclosed
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