SCHEMBL25830926

SCHEMBL25830926

CC(=O)OCC1(COC(C)=O)CCC[C@@H](C)C1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP19A1 P11511 5/20 0.32
PPARG P37231 2/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL25831004 0.80 CYP1A2 (0.58) CYP1A2ALDH1A1KDM4ETDP1LMNA
SCHEMBL30683844 0.77 ALDH1A1 (0.40) CYP1A2ALDH1A1LMNAHSD17B10
SCHEMBL18648166 0.76 CYP1A2 (0.52) CYP1A2
SCHEMBL25300386 0.76 CYP1A2 (0.52) CYP1A2
SCHEMBL18648162 0.76 CYP1A2 (0.52) CYP1A2
SCHEMBL7195368 0.75 LMNA (0.39) CYP1A2ALDH1A1TDP1LMNAHSD17B10
SCHEMBL12319352 0.73 ALDH1A1 (0.37) CYP1A2ALDH1A1KDM4ETDP1PPARG
SCHEMBL32690126 0.73 CYP1A2 (1.00) CYP1A2ALDH1A1LMNA
SCHEMBL18647970 0.73 CYP1A2 (0.49) CYP1A2ALDH1A1KDM4ETDP1
SCHEMBL2870375 0.73 CYP1A2 (1.00) CYP1A2ALDH1A1LMNA

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-2023131667-A1 COOLING COMPOUNDS AND COMPOSITIONS V. MANE FILS (FR) 2023-07-13 WO disclosed