SCHEMBL28332900

SCHEMBL28332900

CCCCOC(=O)C[C@H](Nc1ccc2ccc3cccc4ccc1c2c34)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ KEAP1 Q14145 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MTNR1A P48039 3/20 0.35
▸ MMEL1 Q495T6 1/20 0.35

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
SCHEMBL28032573 1.00 MAPT (0.42) MAPTKDM4EALDH1A1HPGDKEAP1
SCHEMBL19514697 0.81 ALDH1A1 (0.45) MAPTKDM4EALDH1A1HPGDKEAP1
SCHEMBL19514723 0.81 ALDH1A1 (0.45) MAPTKDM4EALDH1A1HPGDKEAP1
SCHEMBL28032035 0.75 MEN1 (0.44) HPGDKMT2AMEN1ITGB1ITGA4
SCHEMBL28332899 0.72 KMT2A (0.44) MAPTKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL28032572 0.72 KMT2A (0.44) MAPTKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL4966326 0.71 LMNA (0.48) ALDH1A1HPGDL3MBTL1KMT2AMEN1
SCHEMBL434691 0.70 ALDH1A1 (0.58) MAPTKDM4EALDH1A1HPGDKEAP1
SCHEMBL7712114 0.70 ALDH1A1 (0.58) MAPTKDM4EALDH1A1HPGDKEAP1
SCHEMBL434690 0.70 ALDH1A1 (0.58) MAPTKDM4EALDH1A1HPGDKEAP1

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-106967213-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2019-11-05 — — CN disclosed
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