SCHEMBL14749539

SCHEMBL14749539

CC(C)C1=C2[C@@H](O[C@H]3O[C@H](CO)C(O)C(O)C3O)[C@H](O)[C@H](C)[C@@H]3CC[C@H](CO)/C3=C/[C@@]2(C)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
YWHAZ P63104 5/20 0.65
RAF1 P04049 1/20 0.45
YWHAH Q04917 1/20 0.45
PTPN1 P18031 2/20 0.37
SYNJ2 O15056 2/20 0.36
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
STAT3 P40763 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
IL2 P60568 1/20 0.33

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
SCHEMBL29380328 1.00 YWHAZ (0.65) YWHAZRAF1YWHAHPTPN1SYNJ2
SCHEMBL14749605 0.84 YWHAZ (0.49) YWHAZRAF1YWHAHPTPN1SYNJ2
SCHEMBL14749604 0.80 YWHAZ (0.57) YWHAZRAF1YWHAHPTPN1SYNJ2
SCHEMBL29608463 0.80 YWHAZ (0.57) YWHAZRAF1YWHAHPTPN1SYNJ2
SCHEMBL25857502 0.58 SYNJ2 (0.49) PTPN1SYNJ2MAPTPOLBMEN1
SCHEMBL23374513 0.58 L3MBTL1 (0.50) PTPN1SYNJ2MAPTSTAT3MEN1
SCHEMBL13449551 0.58 L3MBTL1 (0.50) PTPN1SYNJ2MAPTSTAT3MEN1
SCHEMBL19232307 0.58 L3MBTL1 (0.50) PTPN1SYNJ2MAPTSTAT3MEN1
SCHEMBL18068917 0.58 L3MBTL1 (0.50) PTPN1SYNJ2MAPTSTAT3MEN1
SCHEMBL13176656 0.58 L3MBTL1 (0.50) PTPN1SYNJ2MAPTSTAT3MEN1

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