SCHEMBL28854978

SCHEMBL28854978

CCCCCCCCCCCCCCCCOC(=O)C(C)NP(=O)(Oc1ccccc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.46
▸ MAPT P10636 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 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
SCHEMBL26277063 1.00 MGLL (0.46) MGLLMAPTL3MBTL1ALDH1A1CRHBP
SCHEMBL26277120 1.00 MGLL (0.46) MGLLMAPTL3MBTL1ALDH1A1CRHBP
SCHEMBL26277080 1.00 MGLL (0.46) MGLLMAPTL3MBTL1ALDH1A1CRHBP
SCHEMBL26277058 1.00 MGLL (0.46) MGLLMAPTL3MBTL1ALDH1A1CRHBP
SCHEMBL26277070 1.00 MGLL (0.46) MGLLMAPTL3MBTL1ALDH1A1CRHBP
SCHEMBL28854876 1.00 MGLL (0.46) MGLLMAPTL3MBTL1ALDH1A1CRHBP
SCHEMBL28855001 1.00 MGLL (0.46) MGLLMAPTL3MBTL1ALDH1A1CRHBP
SCHEMBL28854836 1.00 MGLL (0.46) MGLLMAPTL3MBTL1ALDH1A1CRHBP
SCHEMBL28854955 1.00 MGLL (0.46) MGLLMAPTL3MBTL1ALDH1A1CRHBP
SCHEMBL20059145 0.97 ALDH1A1 (0.46) MGLLMAPTL3MBTL1ALDH1A1CRHBP

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-115175735-A Antiviral compounds 吉利德科学公司 2022-10-11 — — CN disclosed
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