SCHEMBL29913533

SCHEMBL29913533

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

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 19/20 0.78
▸ SLC43A1 O75387 1/20 0.56

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
Salasol A SCHEMBL1262247 0.90 ABCB1 (0.87) ABCB1
SCHEMBL31492022 0.84 ABCB1 (0.75) ABCB1SLC43A1
SCHEMBL29725341 0.75 ABCB1 (0.85) ABCB1
SCHEMBL10028463 0.74 ABCB1 (0.98) ABCB1
SCHEMBL29396346 0.69 ABCB1 (0.60) ABCB1
SCHEMBL10062719 0.64 ABCB1 (0.63) ABCB1
SCHEMBL29438721 0.63 ABCB1 (1.00) ABCB1
SCHEMBL21082486 0.62 GAA (0.44) ABCB1
SCHEMBL24063583 0.61 GAA (0.43) ABCB1
SCHEMBL20444761 0.60 ABCB1 (0.46) 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-110283832-B A method for promoting synthesis of anthocyaninItfERF71aGene, recombinant expression vector and application thereof 合肥工业大学 2022-07-12 — — CN disclosed
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