Formic Acid Methyl Ester

Formic Acid Methyl Ester

SCHEMBL28016660

C=Cc1cccnc1C.COC=O

nearest known ligand 0.38

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRIM24 O15164 1/20 0.38
▸ TRIM33 Q9UPN9 1/20 0.38
▸ NFE2L2 Q16236 11/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.31

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
SCHEMBL935465 0.87 — —
Hydrochloric Acid SCHEMBL4201170 0.85 ALDH1A1 (0.37) TRIM24TRIM33P2RX7NPC1ALDH1A1
Thiophene SCHEMBL29976406 0.77 TRIM24 (0.32) TRIM24TRIM33P2RX7NPC1ALDH1A1
SCHEMBL312449 0.75 — —
SCHEMBL29948333 0.75 — —
Formic Acid Methyl Ester SCHEMBL29281000 0.75 TRIM24 (0.40) TRIM24TRIM33NFE2L2P2RX7ERN1
Iodide SCHEMBL27800728 0.74 TRIM24 (0.55) TRIM24TRIM33NFE2L2P2RX7ERN1
Bromide SCHEMBL27551706 0.74 TRIM24 (0.55) TRIM24TRIM33NFE2L2P2RX7ERN1
SCHEMBL28007124 0.73 P2RX7 (0.36) TRIM24TRIM33P2RX7ERN1NPC1
SCHEMBL25270872 0.73 NFE2L2 (0.36) TRIM24TRIM33NFE2L2P2RX7NPC1

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
CN-103002735-B Modulators of 5-ht receptors and methods of use thereof ABBVI CO 2015-05-20 — — CN disclosed
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