SCHEMBL28667987

SCHEMBL28667987

C=C(O)c1cc2c(cc1OC)C(=O)c1c(ccc(OC)c1C)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ EPHX2 P34913 3/20 0.40
▸ ELANE P08246 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ DUSP3 P51452 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ EGFR P00533 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ TTR P02766 2/20 0.34
▸ POLB P06746 3/20 0.33
▸ MITF O75030 1/20 0.33
▸ FGB P02675 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL28623945 0.76 EPHX2 (0.52) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL28673474 0.75 MEN1 (0.43) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL28634150 0.73 MAPT (0.44) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL28437043 0.68 EPHX2 (0.47) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL3276344 0.64 MAPT (0.74) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL19438103 0.64 NPC1 (0.54) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL30475405 0.64 RAB9A (0.61) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL28872388 0.64 RAB9A (0.61) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL31369142 0.64 CA1 (0.56) MAPTMEN1KMT2AEPHX2ALDH1A1
SCHEMBL18048115 0.64 CA1 (0.56) MAPTMEN1KMT2AEPHX2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113173843-B Tobacco black shank resistant active compound and preparation method and application thereof 云南民族大学 2022-08-09 — — CN claimed
CN-113173843-A Tobacco black shank resistant active compound and preparation method and application thereof 云南民族大学 2021-07-27 — — CN claimed
CN-113173843-B Tobacco black shank resistant active compound and preparation method and application thereof 云南民族大学 2022-08-09 — — CN disclosed
CN-113173843-A Tobacco black shank resistant active compound and preparation method and application thereof 云南民族大学 2021-07-27 — — CN disclosed
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