SCHEMBL21607508

SCHEMBL21607508

COC(=O)[C@@H]1OC(c2ccc(OC)cc2)O[C@H]1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
EDNRA P25101 2/20 0.41
PLK1 P53350 1/20 0.41
EDNRB P24530 1/20 0.41

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
SCHEMBL19214443 1.00 BACE1 (0.51) BACE1SMN1; SMN2CA1CA2NPC1
SCHEMBL3201279 0.84 BACE1 (0.52) BACE1SMN1; SMN2CA1CA2NPC1
SCHEMBL8573735 0.84 BACE1 (0.52) BACE1SMN1; SMN2CA1CA2NPC1
SCHEMBL8503544 0.84 BACE1 (0.52) BACE1SMN1; SMN2CA1CA2NPC1
SCHEMBL3201276 0.84 BACE1 (0.52) BACE1SMN1; SMN2CA1CA2NPC1
SCHEMBL7141149 0.84 BACE1 (0.52) BACE1SMN1; SMN2CA1CA2NPC1
SCHEMBL8856846 0.84 BACE1 (0.52) BACE1SMN1; SMN2CA1CA2NPC1
SCHEMBL7939268 0.84 TSHR (0.55) SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9420155 0.84 TSHR (0.55) SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL3096445 0.82 POLB (0.50) SMN1; SMN2SLC6A2SLC6A4SLC6A3

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