SCHEMBL14749541

SCHEMBL14749541

C=CC(C)(C)OC[C@H]1O[C@H](O[C@@H]2C3=C([C@H](C)COC(C)=O)C[C@H](O)[C@]3(C)/C=C3/[C@@H](COC)CC[C@H]3[C@@H](C)[C@H]2O)C(O)C(O)C1O

nearest known ligand 0.90

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
YWHAZ P63104 4/20 0.90

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
SCHEMBL14749536 0.94 YWHAZ (1.00) YWHAZ
SCHEMBL13770407 0.94 YWHAZ (1.00) YWHAZ
SCHEMBL14530930 0.94 YWHAZ (1.00) YWHAZ
SCHEMBL29914208 0.94 YWHAZ (1.00) YWHAZ
SCHEMBL14497663 0.94 YWHAZ (1.00) YWHAZ
SCHEMBL158595 0.94 YWHAZ (1.00) YWHAZ
SCHEMBL14749717 0.91 YWHAZ (0.74) YWHAZ
SCHEMBL13770408 0.90 YWHAZ (0.73) YWHAZ
SCHEMBL14749613 0.90 YWHAZ (0.73) YWHAZ
SCHEMBL14749566 0.88 YWHAZ (0.89) YWHAZ

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
WO-2013031975-A1 METHOD FOR PRODUCING INTERMEDIATE FOR BIOSYNTHESIS OF FUSICOCCIN A, AND SYNTHASE FOR USE IN SAID METHOD DAIRI TOHRU (JP) 2013-03-07 WO disclosed