SCHEMBL8874885

SCHEMBL8874885

CCOC(=O)c1cc(CCCOC(C)=O)on1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL15931887 0.85 HPGD (0.50) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL4551128 0.84 PPARA (0.51) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL15932116 0.84 CYP4F2 (0.47) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL15931948 0.83 HPGD (0.46) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL15932107 0.83 HPGD (0.46) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL11133950 0.83 PPARA (0.53) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL15931414 0.82 HPGD (0.58) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL20524093 0.82 HPGD (0.45) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL15931828 0.82 HPGD (0.45) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL15931827 0.82 HPGD (0.45) ALDH1A1HPGDHSD17B10KDM4EMAPT

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-5643929-A TREATMENT OF PICORNAVIRAL OR RHINOVIRUS AND CHEMICAL INTERMEDIATES SANOFI WINTHROP, INC. (US) 1997-07-01 US disclosed
US-5464848-A 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1995-11-07 US disclosed