SCHEMBL28475368

SCHEMBL28475368

OCC(O)C(OC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CD209 Q9NNX6 2/20 0.39
SYNJ2 O15056 2/20 0.38

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
SCHEMBL9814366 0.89 TYR (0.37) TYRPPARGPPARDPPARAL3MBTL1
SCHEMBL1145406 0.89 TYR (0.37) TYRPPARGPPARDPPARAL3MBTL1
SCHEMBL8720844 0.89 TYR (0.37) TYRPPARGPPARDPPARAL3MBTL1
SCHEMBL303328 0.85 CD209 (0.44) PPARGPPARDPPARAGAAMAPT
SCHEMBL24292439 0.81 CD209 (0.45) TYRPPARGPPARDPPARAL3MBTL1
SCHEMBL10704242 0.81 SYNJ2 (0.44) TYRPPARGPPARDPPARAL3MBTL1
SCHEMBL14668758 0.81 CD209 (0.45) TYRPPARGPPARDPPARAL3MBTL1
SCHEMBL22901584 0.81 CD209 (0.45) TYRPPARGPPARDPPARAL3MBTL1
SCHEMBL17866989 0.81 CD209 (0.45) TYRPPARGPPARDPPARAL3MBTL1
SCHEMBL3885235 0.81 SYNJ2 (0.44) TYRPPARGPPARDPPARAL3MBTL1

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-111770692-A Use of extract of Showa grass for treating breast cancer 中央研究院 2020-10-13 CN disclosed