SCHEMBL31410947

SCHEMBL31410947

CC1(C)Cc2cc(C=O)c(Cl)cc2O1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ IRAK4 Q9NWZ3 14/20 0.32
▸ HTR2A P28223 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
SCHEMBL28469808 0.77 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EIRAK4
SCHEMBL23277898 0.77 AKR1B1 (0.34) AKR1B1ALDH1A1MAPTKDM4EIRAK4
SCHEMBL30714940 0.74 TSHR (0.48) TDP1ALDH1A1
SCHEMBL19030214 0.72 CYP1A2 (0.42) AKR1B1ALDH1A1MAPT
SCHEMBL4230090 0.71 HTR2A (0.48) HTR2A
SCHEMBL30714925 0.71 SLC5A1 (0.40) AKR1B1ALDH1A1MAPTKDM4EIRAK4
SCHEMBL309778 0.70 ALDH1A1 (0.44) TDP1ALDH1A1MAPTKDM4E
SCHEMBL2558135 0.70 ALDH1A1 (0.44) TDP1ALDH1A1MAPTKDM4EHTR2A
SCHEMBL31489919 0.70 IRAK4 (0.32) IRAK4
SCHEMBL25251614 0.70 IRAK4 (0.32) IRAK4

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-119403791-A Isoxazolidine derivatives as herbicidal compounds 先正达农作物保护股份公司 2025-02-07 — — CN disclosed
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