SCHEMBL28945476

SCHEMBL28945476

CCC(C)(C)ON=C(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.38
ATM Q13315 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
HPGD P15428 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TBXA2R P21731 5/20 0.36
AAK1 Q2M2I8 1/20 0.35
PPARG P37231 2/20 0.35

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
SCHEMBL28735868 0.80 ALDH1A1 (0.42) TBXAS1LMNAMAPK1HTTL3MBTL1
SCHEMBL28735782 0.80 KDM4E (0.37) LMNAMAPK1HTTL3MBTL1ALDH1A1
SCHEMBL28735808 0.79 ALDH1A1 (0.41) LMNAMAPK1HTTL3MBTL1ALDH1A1
SCHEMBL6935112 0.76 SMN1; SMN2 (0.43) LMNAALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL28735792 0.76 ALDH1A1 (0.50) LMNAMAPK1HTTL3MBTL1ALDH1A1
SCHEMBL11963886 0.73 ALDH1A1 (0.43) MAPK1ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL13351521 0.72 ALDH1A1 (0.49) TBXAS1LMNAMAPK1HTTL3MBTL1
SCHEMBL30762075 0.71 ATM (0.42) LMNAMAPK1HTTL3MBTL1ALDH1A1
SCHEMBL29615923 0.71 ALDH1A1 (0.37) TBXAS1LMNAMAPK1HTTL3MBTL1
SCHEMBL18648224 0.71 ATM (0.42) LMNAMAPK1HTTL3MBTL1ALDH1A1

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-114394913-B Synthetic method of oxime ether derivative 山东农业大学 2023-02-03 CN disclosed
CN-114394913-A Synthetic method of oxime ether derivative 山东农业大学 2022-04-26 CN disclosed