SCHEMBL29137572

SCHEMBL29137572

C=CCO[C@@H]1O[C@@H]2COC(c3ccccc3)O[C@H]2[C@H](O)[C@H]1NC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.40
▸ PKM P14618 1/20 0.39
▸ SELP P16109 1/20 0.31

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
SCHEMBL21195676 1.00 KMT2A (0.48) KMT2AMEN1L3MBTL1ALDH1A1PKM
SCHEMBL21195696 1.00 KMT2A (0.48) KMT2AMEN1L3MBTL1ALDH1A1PKM
SCHEMBL13262234 0.91 KMT2A (0.53) KMT2AMEN1L3MBTL1ALDH1A1PKM
SCHEMBL14468744 0.88 L3MBTL1 (0.59) KMT2AMEN1L3MBTL1ALDH1A1PKM
SCHEMBL13646611 0.88 L3MBTL1 (0.59) KMT2AMEN1L3MBTL1ALDH1A1PKM
SCHEMBL21381181 0.88 L3MBTL1 (0.59) KMT2AMEN1L3MBTL1ALDH1A1PKM
SCHEMBL21394611 0.88 L3MBTL1 (0.59) KMT2AMEN1L3MBTL1ALDH1A1PKM
SCHEMBL13650802 0.88 L3MBTL1 (0.59) KMT2AMEN1L3MBTL1ALDH1A1PKM
SCHEMBL8058114 0.88 L3MBTL1 (0.59) KMT2AMEN1L3MBTL1ALDH1A1PKM
SCHEMBL15012565 0.87 L3MBTL1 (0.60) KMT2AMEN1L3MBTL1ALDH1A1PKM

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-111032671-B Protected tetraose, method for the production thereof and use thereof as a substrate for transglucosidase receptors in the chemoenzymatic synthesis of shigella flexneri-specific oligosaccharides 巴斯德研究所 2024-01-12 — — CN disclosed
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