Sugi Predict

Sugi Predict / Compounds / SCHEMBL30367067

SCHEMBL30367067

SCHEMBL30367067

C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(COC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 20/20 0.42

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
SCHEMBL28981503 1.00 ABCB1 (0.42) ABCB1
Taxagifine SCHEMBL29520283 0.87 ABCB1 (0.40) ABCB1
Taxagifine SCHEMBL28964410 0.87 ABCB1 (0.40) ABCB1
SCHEMBL31237436 0.84 ABCB1 (0.32) ABCB1
SCHEMBL44183 0.73 ABCB1 (0.41) ABCB1
SCHEMBL29425006 0.68 NLRP3 (0.38) ABCB1
Taxuspine A SCHEMBL31565642 0.63 ABCB1 (0.41) ABCB1
SCHEMBL44567 0.62 NLRP3 (0.43) ABCB1
SCHEMBL31384147 0.62 NLRP3 (0.43) ABCB1
SCHEMBL20444761 0.59 ABCB1 (0.46) ABCB1

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-115902001-A Application of taxotere in serving as metabolic marker for identifying male and female seedlings of taxus cuspidata 杭州师范大学 2023-04-04 — — CN disclosed
CN-115902001-A Application of taxotere in serving as metabolic marker for identifying male and female seedlings of taxus cuspidata 杭州师范大学 2023-04-04 — — CN disclosed