SCHEMBL30875129

SCHEMBL30875129

COCOc1cc(C=O)cc(OC)c1OCOC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.48
MAPK1 P28482 1/20 0.48
FDPS P14324 1/20 0.47
TSHR P16473 1/20 0.46
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
TRIM24 O15164 1/20 0.42
HPGD P15428 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL27944694 1.00 ALDH1A1 (0.48) ALDH1A1MAPK1FDPSTSHRPDCD1
SCHEMBL2744767 0.96 ALDH1A1 (0.50) ALDH1A1MAPK1FDPSTSHRPDCD1
SCHEMBL4137984 0.95 FDPS (0.43) ALDH1A1MAPK1FDPSTSHRPDCD1
SCHEMBL31471641 0.89 FDPS (0.46) ALDH1A1MAPK1FDPSTSHRPDCD1
SCHEMBL13573079 0.87 ALDH1A1 (0.46) ALDH1A1MAPK1FDPSTSHRPDCD1
SCHEMBL7962228 0.86 FDPS (0.45) ALDH1A1MAPK1FDPSTSHRPDCD1
SCHEMBL31359168 0.85 ALDH1A1 (0.66) ALDH1A1MAPK1FDPSTSHRHPGD
SCHEMBL2680807 0.85 ALDH1A1 (0.45) ALDH1A1MAPK1FDPSTSHRPDCD1
SCHEMBL23202773 0.83 ALDH1A1 (0.56) ALDH1A1MAPK1FDPSTSHRHPGD
SCHEMBL7680122 0.83 ALDH1A1 (0.44) ALDH1A1MAPK1FDPSTSHRTDP1

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-117897145-A Composition for treating or preventing obesity or obesity-related liver diseases comprising verbenone derivatives 韩国新丰制药株式会社 2024-04-16 CN disclosed