SCHEMBL27353032

SCHEMBL27353032

CCOC(=O)c1cc(OCC(C)N)c(C)c2c1CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.41
KDM4E B2RXH2 6/20 0.38
HPGD P15428 6/20 0.38
ALDH1A1 P00352 5/20 0.38
GAA P10253 4/20 0.38
ATM Q13315 1/20 0.38
BRD4 O60885 1/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL27353039 1.00 ACHE (0.41) ACHEKDM4EHPGDALDH1A1GAA
SCHEMBL30995652 0.80 ALDH1A1 (0.40) ACHEKDM4EHPGDALDH1A1MAPT
SCHEMBL27353200 0.80 ALDH1A1 (0.40) ACHEKDM4EHPGDALDH1A1MAPT
Hydrochloric Acid SCHEMBL30995639 0.79 ALDH1A1 (0.39) ACHEKDM4EHPGDALDH1A1MAPT
SCHEMBL30995609 0.79 ALDH1A1 (0.42) KDM4EHPGDALDH1A1GAAATM
SCHEMBL27353026 0.79 ALDH1A1 (0.42) KDM4EHPGDALDH1A1GAAATM
SCHEMBL27353040 0.78 ALDH1A1 (0.33) ACHEKDM4EHPGDALDH1A1GAA
SCHEMBL30995620 0.74 CA12 (0.49) ACHEKDM4EHPGDATMBRD4
SCHEMBL27353018 0.74 CA12 (0.49) ACHEKDM4EHPGDATMBRD4
SCHEMBL30995657 0.73 ACHE (0.44) ACHEKDM4EHPGDALDH1A1GAA

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
WO-2024126650-A1 NOVEL BICYCLIC-CARBOXAMIDE COMPOUNDS USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION AG (CH) 2024-06-20 WO disclosed