SCHEMBL29137571

SCHEMBL29137571

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

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ SELP P16109 1/20 0.33
▸ ALDH1A1 P00352 2/20 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
SCHEMBL21195696 0.85 KMT2A (0.48) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL29137572 0.85 KMT2A (0.48) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL21195676 0.85 KMT2A (0.48) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL21195685 0.84 L3MBTL1 (0.47) L3MBTL1KMT2AMEN1SELP
SCHEMBL21195752 0.84 L3MBTL1 (0.47) L3MBTL1KMT2AMEN1SELP
SCHEMBL21195695 0.80 L3MBTL1 (0.42) L3MBTL1KMT2AMEN1
SCHEMBL1743769 0.79 — —
SCHEMBL1673967 0.79 L3MBTL1 (0.63) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL14206021 0.78 L3MBTL1 (0.56) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL14819155 0.77 L3MBTL1 (0.61) L3MBTL1KMT2AMEN1SELPALDH1A1

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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