SCHEMBL26100097

SCHEMBL26100097

COc1ccc(O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OCc4ccc5ccccc5c4)[C@H]3OC(C)=O)[C@H](OCc3ccccc3)[C@H]2N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ PRKCA P17252 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ GJA1 P17302 1/20 0.38
▸ GJB2 P29033 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PAX8 Q06710 1/20 0.37

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
SCHEMBL27002485 1.00 CYP3A4 (0.43) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL27002555 0.95 PTPN1 (0.40) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL5011497 0.93 CYP3A4 (0.47) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL27002571 0.90 PRKCA (0.42) KMT2APRKCAAKT1PTK2CA12
SCHEMBL29092449 0.89 SSTR4 (0.40) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL26101626 0.88 LGALS3 (0.42) GJA1GJB2SSTR4
SCHEMBL26101631 0.88 LGALS3 (0.42) GJA1GJB2SSTR4
SCHEMBL3756883 0.88 NT5E (0.43) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL27002581 0.88 NT5E (0.43) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL3756881 0.88 NT5E (0.43) CYP3A4MEN1KMT2ATP53CYP2C9

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
WO-2024053574-A1 NOVEL OLIGOSACCHARIDE, PRODUCTION INTERMEDIATE FOR NOVEL OLIGOSACCHARIDE, PRODUCTION METHOD FOR NOVEL OLIGOSACCHARIDE, AND PRODUCTION METHOD FOR PRODUCTION INTERMEDIATE FOR NOVEL OLIGOSACCHARIDE 第一三共株式会社 2024-03-14 — — WO disclosed
EP-4306546-A1 GLYCAN, AND METHOD FOR PRODUCING MEDICINE CONTAINING GLYCAN Daiichi Sankyo Company, Limited (JP) 2024-01-17 — — EP disclosed
WO-2023074843-A1 NOVEL OLIGOSACCHARIDE, MANUFACTURING INTERMEDIATE FOR NOVEL OLIGOSACCHARIDE, AND METHOD FOR MANUFACTURING THESE 第一三共株式会社 2023-05-04 — — WO disclosed
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