SCHEMBL30753545

SCHEMBL30753545

C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(CCO)C3=O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ST6GAL1 P15907 3/20 0.66
▸ ST3GAL1 Q11201 2/20 0.66
▸ ST3GAL3 Q11203 2/20 0.66
▸ FUT6 P51993 1/20 0.58
▸ FUT5 Q11128 1/20 0.58
▸ CYP3A4 P08684 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TRPV1 Q8NER1 2/20 0.30
▸ CETP P11597 1/20 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
SCHEMBL29711314 0.85 ST6GAL1 (0.56) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL29711447 0.82 ST6GAL1 (0.52) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL29711431 0.82 ST6GAL1 (0.52) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8324407 0.81 ST6GAL1 (0.61) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8322299 0.79 ST6GAL1 (0.60) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL30416028 0.79 ST6GAL1 (0.73) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL29711449 0.73 ST6GAL1 (1.00) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL29406636 0.70 ST6GAL1 (0.60) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL4572050 0.67 HPGD (0.33) —
SCHEMBL22863326 0.64 APP (0.35) —

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-117164597-B SMTP-0 synthesis method 深圳创元生物医药科技有限公司 2024-02-09 — — CN disclosed
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