SCHEMBL24063583

SCHEMBL24063583

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ ABCB1 P08183 9/20 0.43
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HTR3D Q70Z44 1/20 0.42
▸ HTR3C Q8WXA8 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ CES2 O00748 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 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
SCHEMBL18688498 0.89 HPGD (0.44) GAAALDH1A1LMNANPC1TDP1
SCHEMBL21082486 0.78 GAA (0.44) GAAABCB1HTR3EHTR3BCHRNA7
SCHEMBL14853745 0.77 GAA (0.43) GAAABCB1ALDH1A1LMNANPC1
SCHEMBL4284269 0.75 ABCB1 (0.45) GAAABCB1ALDH1A1
SCHEMBL16063068 0.74 ABCB1 (0.41) GAAABCB1ALDH1A1LMNA
SCHEMBL21082360 0.74 LMNA (0.45) GAACHRNA7ALDH1A1LMNANPC1
SCHEMBL14853753 0.73 ABCB1 (0.45) GAAABCB1ALDH1A1
SCHEMBL23409157 0.73 HPGD (0.39) ABCB1ALDH1A1NPC1
SCHEMBL26290153 0.73 LMNA (0.44) GAACHRNA7ALDH1A1LMNANPC1
SCHEMBL4283219 0.72 ABCB1 (0.44) GAAABCB1ALDH1A1

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
EP-3682905-B1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF MODERNATX INC (US) 2021-12-01 — — EP disclosed
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