SCHEMBL21782408

SCHEMBL21782408

C[C@@]1(COC(=O)c2ccccc2)C[C@@H](OC(=O)c2ccccc2)CO1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.53
▸ TSHR P16473 2/20 0.51
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ CHRNA7 P36544 3/20 0.43
▸ HTR3E A5X5Y0 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ HTR3D Q70Z44 1/20 0.43
▸ HTR3C Q8WXA8 1/20 0.43
▸ APOBEC3A P31941 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ CARM1 Q86X55 1/20 0.41
▸ PRMT6 Q96LA8 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ALDH1A1 P00352 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
SCHEMBL16370390 0.85 LMNA (0.42) GAATSHRKMT2ACHRNA7LMNA
SCHEMBL16370388 0.85 LMNA (0.42) GAATSHRKMT2ACHRNA7LMNA
SCHEMBL15106356 0.78 ALDH1A1 (0.40) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL15106358 0.78 ALDH1A1 (0.40) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL21082485 0.77 GAA (0.45) GAATSHRKMT2ALMNABCHE
SCHEMBL16370114 0.76 CHRNB2 (0.41) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL20221564 0.76 CHRNB2 (0.41) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL16370113 0.76 CHRNB2 (0.41) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL21782494 0.75 GAA (0.43) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL26290154 0.75 ABCB1 (0.46) GAATSHRBCHE

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 2 patents. 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
EP-3492109-B1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF MODERNATX INC (US) 2020-03-04 — — EP disclosed
Send feedback