SCHEMBL28280841

SCHEMBL28280841

O=C1OCCC1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.56
STAT3 P40763 1/20 0.49
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SYNJ2 O15056 2/20 0.41
TYR P14679 1/20 0.40
ALDH1A1 P00352 5/20 0.40
GJA1 P17302 1/20 0.40
GJB2 P29033 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
CASP1 P29466 3/20 0.39
CASP7 P55210 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
CYP2C19 P33261 1/20 0.39
AMY1A P0DUB6 1/20 0.39

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
SCHEMBL28121333 1.00 PTPN1 (0.56) PTPN1STAT3MEN1KMT2ASYNJ2
SCHEMBL5316713 0.74 MEN1 (0.57) PTPN1MEN1KMT2ATYRALDH1A1
Trehalose SCHEMBL14472517 0.74 MEN1 (0.57) PTPN1MEN1KMT2ATYRALDH1A1
Trehalose SCHEMBL670041 0.74 MEN1 (0.57) PTPN1MEN1KMT2ATYRALDH1A1
Trehalose SCHEMBL25304700 0.74 MEN1 (0.57) PTPN1MEN1KMT2ATYRALDH1A1
Trehalose SCHEMBL23029503 0.74 MEN1 (0.57) PTPN1MEN1KMT2ATYRALDH1A1
SCHEMBL5399869 0.74 MEN1 (0.57) PTPN1MEN1KMT2ATYRALDH1A1
Trehalose SCHEMBL156806 0.74 MEN1 (0.57) PTPN1MEN1KMT2ATYRALDH1A1
Trehalose SCHEMBL17072366 0.74 MEN1 (0.57) PTPN1MEN1KMT2ATYRALDH1A1
Trehalose SCHEMBL13465987 0.74 MEN1 (0.57) PTPN1MEN1KMT2ATYRALDH1A1

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-109381472-A A kind of glucoside compound is in preparation for treating the application in hepatic fibrosis medicines 华中科技大学 2019-02-26 CN claimed