SCHEMBL22801906

SCHEMBL22801906

BC1C[C@@H](OC(=O)c2ccccc2)[C@@H](O)[C@@H](COC(=O)c2ccccc2)O1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PPM1B O75688 1/20 0.41
LGALS9 O00182 1/20 0.41
LGALS1 P09382 1/20 0.41
LGALS3 P17931 1/20 0.41
LGALS7; LGALS7B P47929 1/20 0.41
HTT P42858 1/20 0.41
SYNJ2 O15056 3/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.39
SLC22A1 O15245 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
SCHEMBL13274828 0.86 UPP1 (0.52) UPP1ALDH1A1POLBGAAMAPK1
SCHEMBL13274193 0.86 UPP1 (0.52) UPP1ALDH1A1POLBGAAMAPK1
SCHEMBL22801905 0.83 UPP1 (0.49) UPP1ALDH1A1POLBGAAMAPK1
SCHEMBL22801918 0.82 UPP1 (0.48) UPP1ALDH1A1POLBGAAMAPK1
SCHEMBL18271850 0.81 RNASE1 (0.53) POLBLGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL19047826 0.80 UPP1 (0.52) UPP1ALDH1A1POLBGAAMAPK1
SCHEMBL9908701 0.80 RNASE1 (0.44) GAA
SCHEMBL15481988 0.80 UPP1 (0.52) UPP1ALDH1A1POLBGAAMAPK1
SCHEMBL767866 0.80 RNASE1 (0.44) GAA
SCHEMBL6273371 0.78 ALDH1A1 (0.53) ALDH1A1POLBGAAMAPK1NPSR1

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-2020250998-A1 INTRACELLULAR RETENTIVE FLUORESCENT COMPOUND, AND CELL STAINING METHOD AND HIGH-SENSITIVITY CELL DETECTION METHOD EACH USING SAME 株式会社同仁化学研究所 2020-12-17 WO disclosed