SCHEMBL15075166

SCHEMBL15075166

CCC#C[C@]1(OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ POLB P06746 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA5 P30532 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GAPDH P04406 1/20 0.35
▸ HRAS P01112 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SYNJ2 O15056 3/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33

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
SCHEMBL15075322 0.90 ALDH1A1 (0.43) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL15574918 0.90 ALDH1A1 (0.43) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL19535619 0.88 ALDH1A1 (0.41) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL19535621 0.88 ALDH1A1 (0.41) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL21007946 0.88 ALDH1A1 (0.41) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL19535620 0.88 ALDH1A1 (0.41) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL14821346 0.88 ALDH1A1 (0.40) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL14820863 0.88 ALDH1A1 (0.40) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL15075168 0.87 ALDH1A1 (0.41) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL18671847 0.85 ALDH1A1 (0.42) 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-2013096680-A1 SUBSTITUTED PHOSPHOROTHIOATE NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2013-06-27 — — WO disclosed
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