SCHEMBL8345213

SCHEMBL8345213

CCOC(=O)CC(=O)C[C@@](O)(CCc1ccc(OCc2ccccc2)cc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NR1H4 Q96RI1 1/20 0.46
ALDH1A1 P00352 1/20 0.46
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
BCHE P06276 1/20 0.42
ALOX5 P09917 2/20 0.42
GSK3B P49841 1/20 0.42
BACE1 P56817 1/20 0.42
LTA4H P09960 3/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 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
SCHEMBL6296415 0.90 SMN1; SMN2 (0.44) LMNAALDH1A1ALOX5
SCHEMBL8014867 0.85 FFAR1 (0.50) ALDH1A1FFAR1FFAR4LTB4RLTB4R2
SCHEMBL8008297 0.84 FFAR1 (0.57) LMNAL3MBTL1FFAR1FFAR4LTB4R
SCHEMBL8343697 0.84 FFAR1 (0.57) LMNAL3MBTL1FFAR1FFAR4LTB4R
SCHEMBL8008244 0.82 FFAR1 (0.49) LMNAL3MBTL1FFAR1FFAR4LTB4R
SCHEMBL6297746 0.82 CYP4F2 (0.38) LMNAALDH1A1PPARG
SCHEMBL3744601 0.80 FFAR1 (0.62) LMNAL3MBTL1NR1H4ALDH1A1FFAR1
SCHEMBL6297611 0.80 PPARG (0.40) ALDH1A1PPARG
SCHEMBL7636702 0.79 PPID (0.49) LMNAALDH1A1
SCHEMBL7636689 0.79 PPID (0.49) LMNAALDH1A1

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
WO-1999014210-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 5,6-DIHYDRO-2H-PYRAN-2-ONES WARNER-LAMBERT COMPANY (US) 1999-03-25 WO claimed
WO-1999014210-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 5,6-DIHYDRO-2H-PYRAN-2-ONES WARNER-LAMBERT COMPANY (US) 1999-03-25 WO disclosed