SCHEMBL28550522

SCHEMBL28550522

CCC=CCC=CC(=O)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.52
ALDH1A1 P00352 8/20 0.48
OXER1 Q8TDS5 5/20 0.48
CYP19A1 P11511 4/20 0.48
PPARG P37231 3/20 0.48
MAPT P10636 3/20 0.48
RXRA P19793 2/20 0.48
FFAR1 O14842 2/20 0.48
F7 P08709 3/20 0.45
F3 P13726 3/20 0.45
PTGS1 P23219 3/20 0.45
KMT2A Q03164 2/20 0.45
PPARD Q03181 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
NR1I2 O75469 2/20 0.42
PTGS2 P35354 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
PLA2G1B P04054 1/20 0.42

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
SCHEMBL3131381 0.85
SCHEMBL14142895 0.85
SCHEMBL3131375 0.85
SCHEMBL5349079 0.80 PPARA (0.67) PPARAALDH1A1OXER1CYP19A1PPARG
SCHEMBL18714031 0.80 PPARA (0.67) PPARAALDH1A1OXER1CYP19A1PPARG
SCHEMBL5349084 0.80 PPARA (0.67) PPARAALDH1A1OXER1CYP19A1PPARG
SCHEMBL30635446 0.80 PPARA (0.67) PPARAALDH1A1OXER1CYP19A1PPARG
SCHEMBL160884 0.75
SCHEMBL160882 0.75
SCHEMBL13078110 0.73 OXER1 (0.47) PPARAALDH1A1OXER1CYP19A1PPARG

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-112724112-B Separation and purification method of stevia rebaudiana 华东理工大学 2023-03-14 CN disclosed
CN-112724112-A Separation and purification method of stevia rebaudiana 华东理工大学 2021-04-30 CN disclosed