SCHEMBL28409452

SCHEMBL28409452

COc1ccc2c(C3CC(c4ccccc4)=NN3C(C)=O)cccc2c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.64
▸ CA1 P00915 2/20 0.64
▸ CA2 P00918 2/20 0.64
▸ CA9 Q16790 2/20 0.64
▸ NPC1 O15118 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ MAOB P27338 5/20 0.61
▸ MAOA P21397 2/20 0.61
▸ EGFR P00533 2/20 0.60
▸ ERBB2 P04626 2/20 0.60
▸ ERBB3 P21860 2/20 0.60
▸ KDR P35968 2/20 0.60
▸ PTK2 Q05397 2/20 0.60
▸ ACHE P22303 2/20 0.57
▸ LMNA P02545 1/20 0.54

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
SCHEMBL28414052 0.95 CA12 (0.65) CA12CA1CA2CA9NPC1
SCHEMBL14540796 0.82 EGFR (0.68) CA12CA1CA2CA9MAOB
SCHEMBL28811412 0.80 NPC1 (0.69) CA12CA1CA2CA9NPC1
SCHEMBL28417001 0.77 EGFR (0.63) CA1CA2MAOBMAOAEGFR
SCHEMBL27986738 0.77 ACHE (0.64) MAOBACHELMNA
SCHEMBL14540795 0.74 NPSR1 (0.73) CA12CA1CA2CA9EGFR
SCHEMBL30751941 0.73 MAOB (0.61) CA12CA1CA2CA9MAOB
SCHEMBL27276927 0.73 MAOB (0.61) CA12CA1CA2CA9MAOB
SCHEMBL14133198 0.73 PTGS2 (0.84) NPC1RAB9A
SCHEMBL30751940 0.72 MAOA (0.76) CA12CA1CA2CA9NPC1

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
CN-107820941-B Antioxidant light-converting agricultural plastic film and preparation method thereof 盐城保荣机械有限公司 2020-05-15 — — CN claimed
CN-107820941-B Antioxidant light-converting agricultural plastic film and preparation method thereof 盐城保荣机械有限公司 2020-05-15 — — CN disclosed
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