SCHEMBL9254561

SCHEMBL9254561

CCOC(=O)C1COc2cc(OC(C)=O)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
TSHR P16473 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL7204613 0.95 CYP4F2 (0.46) CYP4F2CYP4A11TSHRL3MBTL1GAA
SCHEMBL1519333 0.84 CYP4F2 (0.50) CYP4F2CYP4A11TSHRL3MBTL1GAA
SCHEMBL9412105 0.84 SMN1; SMN2 (0.43) TSHRL3MBTL1GAALMNAPOLB
SCHEMBL9255523 0.83 CYP4F2 (0.47) CYP4F2CYP4A11TSHRL3MBTL1GAA
SCHEMBL1519281 0.82 POLB (0.58) CYP4F2CYP4A11TSHRL3MBTL1GAA
SCHEMBL9255724 0.82 CYP4F2 (0.54) CYP4F2CYP4A11TSHRL3MBTL1GAA
SCHEMBL1519467 0.82 CYP4F2 (0.48) CYP4F2CYP4A11TSHRL3MBTL1GAA
SCHEMBL7483813 0.81 CYP4F2 (0.51) CYP4F2CYP4A11TSHRL3MBTL1GAA
SCHEMBL7483826 0.81 CYP4F2 (0.51) CYP4F2CYP4A11TSHRL3MBTL1GAA
SCHEMBL7490164 0.81 CYP4F2 (0.51) CYP4F2CYP4A11TSHRL3MBTL1GAA

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
US-5439909-A 2-Substituted with amide or thioamide group; antioxidant for lipoproteins, antilipemic agents, anticholesterol agents ADIR ET COMPAGNIE (FR) 1995-08-08 US disclosed
US-5420132-A Antilipemic agents ADIR ET COMPAGNIE (FR) 1995-05-30 US disclosed