SCHEMBL21082486

SCHEMBL21082486

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.44
▸ ABCB1 P08183 9/20 0.43
▸ TSHR P16473 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CHRNA7 P36544 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 0.40
▸ HTR3B O95264 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ HTR3D Q70Z44 1/20 0.40
▸ HTR3C Q8WXA8 1/20 0.40

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
SCHEMBL18879938 0.84 SCN1A (0.43) GAAABCB1TSHRLMNAKMT2A
SCHEMBL30670557 0.84 ABCB1 (0.39) GAAABCB1TSHRLMNAKMT2A
SCHEMBL24063583 0.78 GAA (0.43) GAAABCB1TSHRLMNACHRNA7
SCHEMBL15106356 0.75 ALDH1A1 (0.40) GAATSHRLMNAKMT2AMEN1
SCHEMBL15106358 0.75 ALDH1A1 (0.40) GAATSHRLMNAKMT2AMEN1
SCHEMBL26290154 0.75 ABCB1 (0.46) GAAABCB1TSHR
SCHEMBL30670590 0.74 MEN1 (0.39) GAAABCB1TSHRKMT2AMEN1
SCHEMBL26290153 0.74 LMNA (0.44) GAATSHRLMNAKMT2ACHRNA7
SCHEMBL21782408 0.74 GAA (0.53) GAATSHRLMNAKMT2AMEN1
SCHEMBL19261912 0.74 LMNA (0.41) TSHRLMNAKMT2AMEN1CHRNA7

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 4 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-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF ModernaTX, Inc. (US) 2020-07-22 — — EP disclosed
EP-3492109-B1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF MODERNATX INC (US) 2020-03-04 — — EP disclosed
EP-3492109-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF Moderna Therapeutics, Inc. (US) 2019-06-05 — — EP disclosed
Send feedback