SCHEMBL21607231

SCHEMBL21607231

COC(=O)[C@@H]1OC(c2cccc(OC)c2)O[C@H]1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
GLA P06280 2/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TSHR P16473 3/20 0.44
MAPK1 P28482 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SLC9A1 P19634 2/20 0.42

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
SCHEMBL9692360 0.86 TSHR (0.51) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL21607508 0.81 BACE1 (0.51) NPC1RAB9ACES2CES1SMN1; SMN2
SCHEMBL19214443 0.81 BACE1 (0.51) NPC1RAB9ACES2CES1SMN1; SMN2
SCHEMBL20712075 0.80 POLB (0.50) ALDH1A1TSHRMAPK1CYP2D6SMN1; SMN2
SCHEMBL3096445 0.80 POLB (0.50) ALDH1A1TSHRMAPK1CYP2D6SMN1; SMN2
SCHEMBL3096440 0.80 POLB (0.50) ALDH1A1TSHRMAPK1CYP2D6SMN1; SMN2
SCHEMBL2747635 0.80 POLB (0.50) ALDH1A1TSHRMAPK1CYP2D6SMN1; SMN2
SCHEMBL21607170 0.78 ALDH1A1 (0.46) ALDH1A1RAB9ATSHRMAPK1HSD17B10
SCHEMBL7939239 0.75 NR3C1 (0.54) KDM4EALDH1A1GAARAB9ATSHR
SCHEMBL7947759 0.75 NR3C1 (0.54) KDM4EALDH1A1GAARAB9ATSHR

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-2019243576-A1 GLUCOSE-SENSITIVE PEPTIDE HORMONES GUBRA APS (DK) 2019-12-26 WO disclosed