SCHEMBL29092449

SCHEMBL29092449

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)c3ccccc3C2O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ GJB2 P29033 2/20 0.39
▸ GJA1 P17302 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ PRKCA P17252 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ PTK2 Q05397 1/20 0.39
▸ SSTR5 P35346 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL29249672 0.93 CYP3A4 (0.43) CYP3A4MEN1TP53KMT2ACYP2C9
SCHEMBL27002485 0.89 CYP3A4 (0.43) SSTR4CYP3A4MEN1TP53KMT2A
SCHEMBL26100097 0.89 CYP3A4 (0.43) SSTR4CYP3A4MEN1TP53KMT2A
SCHEMBL29092266 0.88 NT5E (0.41) KMT2AGJB2GJA1POLBLMNA
SCHEMBL29092814 0.87 SSTR5 (0.41) SSTR4GJB2GJA1SSTR5
SCHEMBL29092818 0.87 SSTR5 (0.41) SSTR4GJB2GJA1SSTR5
SCHEMBL29092821 0.84 SSTR5 (0.44) SSTR4GJB2GJA1SSTR5
SCHEMBL29092823 0.84 SSTR5 (0.44) SSTR4GJB2GJA1SSTR5
SCHEMBL29249667 0.84 PTPN1 (0.44) SSTR4GJB2GJA1SSTR5
SCHEMBL27002555 0.84 PTPN1 (0.40) SSTR4CYP3A4MEN1TP53KMT2A

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 2 patents. 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
CN-116917341-A Sugar chain and method for producing pharmaceutical product containing sugar chain 第一三共株式会社 2023-10-20 — — CN disclosed
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