SCHEMBL21782494

SCHEMBL21782494

C[C@@]1(COC(=O)c2ccccc2)CC[C@@H](OC(=O)c2ccccc2)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.43
▸ APOBEC3A P31941 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CHRNA7 P36544 3/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PTGES2 Q9H7Z7 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA5 P30532 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ATM Q13315 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
SCHEMBL21082360 0.84 LMNA (0.45) GAAALDH1A1CHRNA7LMNAMEN1
SCHEMBL21082485 0.76 GAA (0.45) GAAALDH1A1LMNAKMT2APTGES2
SCHEMBL21782408 0.75 GAA (0.53) GAAAPOBEC3AAPOBEC3GALDH1A1CHRNA7
SCHEMBL22475020 0.74 ABCB1 (0.39) GAAALDH1A1CHRNA7LMNAMEN1
SCHEMBL23906729 0.74 ALDH1A1 (0.43) GAAALDH1A1CHRNA7LMNAKMT2A
SCHEMBL21082489 0.74 ALDH1A1 (0.43) GAAALDH1A1CHRNA7LMNAKMT2A
SCHEMBL18573967 0.73 LMNA (0.44) ALDH1A1CHRNA7LMNAMEN1KMT2A
SCHEMBL21082486 0.73 GAA (0.44) GAACHRNA7LMNAMEN1KMT2A
SCHEMBL16370114 0.72 CHRNB2 (0.41) GAAALDH1A1CHRNA7LMNAMEN1
SCHEMBL20221564 0.72 CHRNB2 (0.41) GAAALDH1A1CHRNA7LMNAMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4015005-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF ModernaTX, Inc. (US) 2022-06-22 — — EP disclosed
EP-3682905-B1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF MODERNATX INC (US) 2021-12-01 — — EP disclosed
EP-3492109-B1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF MODERNATX INC (US) 2020-03-04 — — EP disclosed
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