SCHEMBL18759058

SCHEMBL18759058

CC(=O)OCC1C[C@@H](OC(C)=O)C(n2cnc3c(=O)[nH]c(N=O)nc32)O1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HINT1 P49773 4/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ GSK3A P49840 2/20 0.39
▸ RPS6KA3 P51812 2/20 0.39
▸ MAPK14 Q16539 2/20 0.39
▸ IMPDH2 P12268 5/20 0.38
▸ IMPDH1 P20839 1/20 0.38
▸ FUT5 Q11128 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ PNP P00491 1/20 0.36

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
SCHEMBL7257443 0.87 HINT1 (0.54) ALDH1A1HINT1GSK3ARPS6KA3MAPK14
SCHEMBL18759054 0.87 HINT1 (0.54) ALDH1A1HINT1GSK3ARPS6KA3MAPK14
SCHEMBL18769167 0.83 ALDH1A1 (0.64) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL25711923 0.79 HINT1 (0.50) HINT1GSK3ARPS6KA3MAPK14FUT5
SCHEMBL22757440 0.78 ALDH1A1 (0.46) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL24258664 0.77 LMNA (0.42) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8284676 0.77 LMNA (0.56) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL7069026 0.76 PRKAB2 (0.46) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL7054416 0.76 ALDH1A1 (0.52) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL23982314 0.76 HSP90B1 (0.52) GSK3ARPS6KA3MAPK14

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
WO-2017066797-A1 TRINUCLEOTIDE MRNA CAP ANALOGS MODERNATX, INC. (US) 2017-04-20 — — WO disclosed
WO-2017066782-A1 HYDROPHOBIC MRNA CAP ANALOGS MODERNATX, INC. (US) 2017-04-20 — — WO disclosed
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