SCHEMBL29249672

SCHEMBL29249672

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](OC(C)=O)[C@H]3OC(C)=O)[C@H](OCc3ccccc3)[C@H]2N2C(O)c3ccccc3C2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PRKCA P17252 1/20 0.42
▸ AKT1 P31749 1/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ TSHR P16473 1/20 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
SCHEMBL29092449 0.93 SSTR4 (0.40) CYP3A4KMT2AMEN1TP53CYP2C9
SCHEMBL29092266 0.93 NT5E (0.41) KMT2AALDH1A1LMNAPOLB
SCHEMBL5011497 0.87 CYP3A4 (0.47) CYP3A4KMT2AMEN1TP53CYP2C9
SCHEMBL29249667 0.87 PTPN1 (0.44) —
SCHEMBL29092237 0.84 GJB2 (0.45) —
SCHEMBL29249623 0.82 GJB2 (0.49) —
SCHEMBL29092324 0.81 GJB2 (0.42) —
SCHEMBL27002485 0.81 CYP3A4 (0.43) CYP3A4KMT2AMEN1TP53CYP2C9
SCHEMBL26100097 0.81 CYP3A4 (0.43) CYP3A4KMT2AMEN1TP53CYP2C9
SCHEMBL22073057 0.81 NT5E (0.49) CYP3A4KMT2AMEN1TP53CYP2C9

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-118302451-A Novel oligosaccharide, intermediate for producing the oligosaccharide, and process for producing the same 第一三共株式会社 2024-07-05 — — CN disclosed
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