SCHEMBL30716477

SCHEMBL30716477

C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL29425006 0.80 NLRP3 (0.38)
Taxuspine F SCHEMBL30602496 0.72 RAB9A (0.31) RAB9ASMN1; SMN2
SCHEMBL1896050 0.59 USP2 (0.30)
SCHEMBL29786939 0.57
Taxinine A SCHEMBL30495377 0.56 RAB9A (0.32) RAB9ASMN1; SMN2
SCHEMBL11672781 0.54 PAX8 (0.35)
SCHEMBL28695923 0.54 CYP3A4 (0.33)
SCHEMBL1894058 0.53 ABCB1 (0.31)
SCHEMBL15326611 0.50 POLB (0.39)
SCHEMBL6795287 0.49 TSHR (0.30)

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-117230030-A Method for biologically and fully synthesizing paclitaxel precursor substance baccatin III, biological material and application 中国农业科学院深圳农业基因组研究所 2023-12-15 CN disclosed