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Physalin B

Physalin B

SCHEMBL30775538

C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@@H](CO[C@@]16O[C@@]32[C@H]5C6=O)C(=O)O4

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLI1 P08151 5/20 1.00
▸ NFKBIA P25963 4/20 1.00
▸ IDH1 O75874 2/20 1.00
▸ AR P10275 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ BRD3 Q15059 1/20 0.33

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
Physalin B SCHEMBL15853699 1.00 GLI1 (1.00) GLI1NFKBIAIDH1ARBRD4
Physalin B SCHEMBL28386436 1.00 GLI1 (1.00) GLI1NFKBIAIDH1ARBRD4
Physalin B SCHEMBL15856980 1.00 GLI1 (1.00) GLI1NFKBIAIDH1ARBRD4
Physalin B SCHEMBL15853692 1.00 GLI1 (1.00) GLI1NFKBIAIDH1ARBRD4
Physalin B SCHEMBL504410 1.00 GLI1 (1.00) GLI1NFKBIAIDH1ARBRD4
SCHEMBL31301129 0.88 GLI1 (0.79) GLI1NFKBIAIDH1
SCHEMBL15856986 0.81 GLI1 (0.70) GLI1NFKBIAIDH1
Physalin G SCHEMBL30284476 0.81 GLI1 (0.68) GLI1NFKBIAIDH1
Physalin F SCHEMBL29511415 0.81 GLI1 (1.00) GLI1NFKBIAIDH1BRD4BRD3
Physalin D SCHEMBL15853697 0.79 GLI1 (0.84) GLI1NFKBIAIDH1BRD4BRD3

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-117357418-A Use of natural products in soothing anti-sensitization cosmetics and anti-sensitization drugs 上海致臻志臣科技有限公司 2024-01-09 — — CN disclosed