SCHEMBL30724810

SCHEMBL30724810

CCC=CCCC(C)=CC(=O)CCC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
CYP19A1 P11511 4/20 0.46
MAPT P10636 4/20 0.46
PPARG P37231 3/20 0.46
OXER1 Q8TDS5 3/20 0.46
RXRA P19793 2/20 0.46
FFAR1 O14842 2/20 0.46
F7 P08709 3/20 0.39
F3 P13726 3/20 0.39
PTGS1 P23219 3/20 0.39
PPARA Q07869 3/20 0.39
KMT2A Q03164 2/20 0.39
PPARD Q03181 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
FAAH O00519 1/20 0.38
CNR1 P21554 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
NR1I2 O75469 2/20 0.37
PTGS2 P35354 2/20 0.37

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
SCHEMBL30724816 0.89 ATM (0.41) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL1905069 0.81
SCHEMBL9651209 0.81
SCHEMBL1905071 0.81
SCHEMBL1298900 0.79 ALDH1A1 (0.56) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL1298898 0.79 ALDH1A1 (0.56) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL11617265 0.78 ALDH1A1 (0.47) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL11617263 0.78 ALDH1A1 (0.47) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL6060625 0.78 ALDH1A1 (0.50) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL6060974 0.78 ALDH1A1 (0.50) ALDH1A1CYP19A1MAPTPPARGOXER1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547638-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2025-05-07 EP disclosed
CN-119585235-A Organic compound 奇华顿股份有限公司 2025-03-07 CN disclosed
WO-2024003176-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-01-04 WO disclosed
WO-2024000260-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-01-04 WO disclosed