SCHEMBL31492022

SCHEMBL31492022

CC(=O)OC[C@@]12[C@@H](OC(C)=O)CC[C@@H](C)[C@]13OC(C)(C)[C@H]([C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)c1ccccc1)[C@H]3OC(C)=O

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 19/20 0.75
SLC43A1 O75387 1/20 0.71

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
SCHEMBL29725341 0.85 ABCB1 (0.85) ABCB1
SCHEMBL10028463 0.85 ABCB1 (0.98) ABCB1
SCHEMBL29913533 0.84 ABCB1 (0.78) ABCB1SLC43A1
Salasol A SCHEMBL1262247 0.77 ABCB1 (0.87) ABCB1
SCHEMBL29438721 0.75 ABCB1 (1.00) ABCB1
Triptersinin E SCHEMBL29838646 0.68 ABCB1 (0.75) ABCB1
SCHEMBL29386450 0.68 ABCB1 (0.86) ABCB1SLC43A1
SCHEMBL30492068 0.68 ABCB1 (0.74) ABCB1
SCHEMBL10062719 0.67 ABCB1 (0.63) ABCB1
SCHEMBL6098791 0.65 ABCB1 (0.48) ABCB1SLC43A1

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-119930559-A Dihydro-beta-agarofuran sesquiterpenoids and preparation method and application thereof 上海市伤骨科研究所 2025-05-06 CN disclosed