SCHEMBL9045897

SCHEMBL9045897

C=CCOC(=O)C1(C)CCC(C(C)=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
ALDH1A1 P00352 4/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
KCNA3 P22001 1/20 0.30
TP53 P04637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 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
SCHEMBL7196359 0.85 CYP3A4 (0.42) CYP3A4MAPTTSHRCACNA1BAPBA1
SCHEMBL9042302 0.84 CYP3A4 (0.35) CYP3A4MAPTTSHRCACNA1BAPBA1
SCHEMBL9042295 0.84 CYP3A4 (0.35) CYP3A4MAPTTSHRCACNA1BAPBA1
SCHEMBL9044509 0.84 CYP3A4 (0.35) CYP3A4MAPTTSHRCACNA1BAPBA1
SCHEMBL9043745 0.83 CYP3A4 (0.34) CYP3A4MAPTTSHRCACNA1BAPBA1
SCHEMBL9043754 0.83 CYP3A4 (0.34) CYP3A4MAPTTSHRCACNA1BAPBA1
SCHEMBL9042872 0.81 CYP3A4 (0.33) CYP3A4TSHRALDH1A1GAACA1
SCHEMBL9043214 0.80 CYP3A4 (0.33) CYP3A4TSHRALDH1A1GAA
SCHEMBL7175708 0.78 CYP3A4 (0.38) CYP3A4MAPTTSHRCACNA1BAPBA1
SCHEMBL15712064 0.76 ALDH1A1 (0.32) MAPTTSHRALDH1A1GAACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705817-A1 New cannamide derivatives and their use as allergy inhibitors TSUMURA & CO. (JP) 1996-04-10 EP disclosed
US-5344845-A Methyl 4(4-acetoxy-3-methoxycinnamanide and salts as an immunosuppressive drug for allergic reactions TSUMURA & CO. (JP) 1994-09-06 US disclosed
EP-0535250-A1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO. (JP) 1993-04-07 EP disclosed