SCHEMBL26853141

SCHEMBL26853141

COC(=O)COc1ccc([N+](=O)[O-])c(CO)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.52
▸ ALDH1A1 P00352 7/20 0.48
▸ RAB9A P51151 5/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ LMNA P02545 3/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 3/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ POLB P06746 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL18721152 0.86 PTGS2 (0.57) PTGS2ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL5030826 0.85 NPC1 (0.47) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL27798824 0.83 ALDH1A1 (0.62) PTGS2ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL31255362 0.83 ALDH1A1 (0.62) PTGS2ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL6986185 0.82 PTGS2 (0.53) PTGS2ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3313592 0.82 PTGS2 (0.53) PTGS2ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL31472484 0.82 PTGS2 (0.53) PTGS2ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL27631561 0.82 PTGS2 (0.53) PTGS2ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3596655 0.82 MAPT (0.46) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL5005582 0.81 MAPT (0.63) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA

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
WO-2023219114-A1 MRNA CAP ANALOG AND METHOD FOR PRODUCING SAME, METHOD FOR PRODUCING MRNA, AND KIT ヤマサ醤油株式会社 2023-11-16 — — WO disclosed
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