SCHEMBL3799804

SCHEMBL3799804

CC(=O)OC[C@@]1(C(C)=O)O[C@H](O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.39
PYGL P06737 1/20 0.32
NPC1 O15118 1/20 0.31
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
CYP2D6 P10635 1/20 0.30
THRB P10828 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL812463 0.85 ABCB1 (0.31) ABCB1
SCHEMBL10488360 0.72 ABCB1 (0.34) ABCB1
SCHEMBL8151448 0.72 ABCB1 (0.30) ABCB1
SCHEMBL13973622 0.70 ABCB1 (0.48) ABCB1PYGLNPC1XBP1HTT
SCHEMBL3207681 0.70 OGA (0.34) CYP2D6THRBHSD17B10
SCHEMBL9744786 0.70 ABCB1 (0.40) ABCB1PYGLCYP2D6THRBHSD17B10
SCHEMBL9744773 0.70 ABCB1 (0.40) ABCB1PYGLCYP2D6THRBHSD17B10
SCHEMBL9744999 0.70 ABCB1 (0.40) ABCB1PYGLCYP2D6THRBHSD17B10
SCHEMBL16027312 0.70 ABCB1 (0.48) ABCB1PYGLNPC1XBP1HTT
SCHEMBL16027313 0.70 ABCB1 (0.48) ABCB1PYGLNPC1XBP1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7695738-B2 Carbohydrate encapsulated nanoparticles ACADEMIA SINICA (TW) 2010-04-13 US disclosed
US-20050287552-A1 Carbohydrate encapsulated nanoparticle based affinity mass spectrometry ACADEMIA SINICA, OFFICE OF PUBLIC AFFAIRS (TECHNOLOGY TRANSFER) (TW) 2005-12-29 US disclosed
US-20050130240-A1 Carbohydrate encapsulated nanoparticles ACADEMIA SINICA (TW) 2005-06-16 US disclosed