SCHEMBL29438157

SCHEMBL29438157

CCOC(=O)C1(C)CC(c2cc([N+](=O)[O-])c(F)cc2Cl)=NO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GPR174 Q9BXC1 2/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MTOR P42345 1/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ KCNMA1 Q12791 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL21635547 1.00 MAPT (0.38) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL22714362 0.91 NPC1 (0.37) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30899558 0.91 NPC1 (0.37) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL25061603 0.87 MAPT (0.38) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL22714353 0.86 CA1 (0.41) MAPTCA1CA2ALDH1A1NPC1
SCHEMBL29438166 0.86 CA1 (0.41) MAPTCA1CA2ALDH1A1NPC1
SCHEMBL25061604 0.85 MAPT (0.38) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL24485235 0.85 CA1 (0.42) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL29712909 0.85 CA1 (0.42) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL29055133 0.85 MAPT (0.35) MAPTMEN1KMT2ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113874368-B Herbicidal compounds 先正达农作物保护股份公司 2024-03-08 — — CN disclosed
CN-113880774-B Preparation method of phenyl isoxazoline compound 沈阳中化农药化工研发有限公司 2023-12-08 — — CN disclosed
EP-3976603-A1 HERBICIDAL COMPOUNDS Syngenta Crop Protection AG (CH) 2022-04-06 — — EP disclosed
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