SCHEMBL21607181

SCHEMBL21607181

COC(=O)[C@@H]1OC(c2ccccc2OC)O[C@H]1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
ITGA4 P13612 1/20 0.42
POLB P06746 1/20 0.42
FABP3 P05413 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL10894837 0.85 ALDH1A1 (0.43) ALDH1A1MAPTITGA4POLBFABP3
SCHEMBL11014972 0.81 ALDH1A1 (0.46) ALDH1A1MAPTITGA4POLBKDM4E
SCHEMBL21607229 0.77 TSHR (0.44) ALDH1A1MAPTITGA4POLBKDM4E
SCHEMBL3096445 0.76 POLB (0.50) ALDH1A1MAPTITGA4POLBSMN1; SMN2
SCHEMBL3096440 0.76 POLB (0.50) ALDH1A1MAPTITGA4POLBSMN1; SMN2
SCHEMBL2747635 0.76 POLB (0.50) ALDH1A1MAPTITGA4POLBSMN1; SMN2
SCHEMBL20712075 0.76 POLB (0.50) ALDH1A1MAPTITGA4POLBSMN1; SMN2
SCHEMBL7824500 0.74 KMT2A (0.38) ALDH1A1MAPTITGA4POLBMEN1
SCHEMBL9690184 0.73 FABP3 (0.46) ALDH1A1POLBFABP3KDM4EHPGD
SCHEMBL10477591 0.72 FABP3 (0.45) ALDH1A1POLBFABP3KDM4EMEN1

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