SCHEMBL28635604

SCHEMBL28635604

CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](OCc3ccccc3)O[C@H]3COC(c4ccccc4)O[C@H]3[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@H](OC(N)=O)[C@H]1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ TSHR P16473 1/20 0.45
▸ CA9 Q16790 9/20 0.45
▸ CA1 P00915 8/20 0.45
▸ CA2 P00918 8/20 0.45
▸ LMNA P02545 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ PAX8 Q06710 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PRKCA P17252 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ CA12 O43570 5/20 0.40

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
SCHEMBL23591488 0.87 TSHR (0.56) L3MBTL1TSHRCA9CA1CA2
SCHEMBL28635871 0.86 CYP2D6 (0.54) TSHRCA9CA1CA2LMNA
SCHEMBL15083009 0.86 TSHR (0.52) L3MBTL1TSHRCA9CA1CA2
SCHEMBL14679210 0.85 L3MBTL1 (0.48) L3MBTL1TSHRCA9CA1CA2
SCHEMBL13024893 0.85 L3MBTL1 (0.48) L3MBTL1TSHRCA9CA1CA2
SCHEMBL13024906 0.85 L3MBTL1 (0.48) L3MBTL1TSHRCA9CA1CA2
SCHEMBL14679212 0.85 L3MBTL1 (0.48) L3MBTL1TSHRCA9CA1CA2
SCHEMBL19248959 0.82 L3MBTL1 (0.50) L3MBTL1CA9CA1CA2MAPK1
SCHEMBL7566630 0.81 L3MBTL1 (0.46) L3MBTL1TSHRCA9CA1CA2
SCHEMBL12920544 0.81 TSHR (0.58) TSHRCA9CA1CA2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108794547-B Preparation method of 3-O-carbamyl mannose donor derivative, bleomycin disaccharide and precursor thereof 广州中医药大学(广州中医药研究院) 2021-08-10 — — CN claimed
CN-108948106-B Preparation method of 2-hydroxy gulose receptor derivative, bleomycin disaccharide and precursor thereof 广州中医药大学(广州中医药研究院) 2021-08-10 — — CN disclosed
CN-108794547-B Preparation method of 3-O-carbamyl mannose donor derivative, bleomycin disaccharide and precursor thereof 广州中医药大学(广州中医药研究院) 2021-08-10 — — CN disclosed
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