SCHEMBL10984628

SCHEMBL10984628

CCC(=O)CC(=O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
NAAA Q02083 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RAB9A P51151 1/20 0.41
EPHX1 P07099 3/20 0.39
HSD11B1 P28845 1/20 0.39
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
ENPP2 Q13822 1/20 0.36

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
SCHEMBL509550 0.91 TDP1 (0.45) RAB9AHSD11B1SMN1; SMN2TDP1ALDH1A1
SCHEMBL28422807 0.84 CES2 (0.52) CES2CES1NAAAHDAC8HDAC6
SCHEMBL5796647 0.83 NAAA (0.43) CES2CES1NAAAHDAC8HDAC6
SCHEMBL13267740 0.81 CES2 (0.50) CES2CES1NAAAHDAC8HDAC6
SCHEMBL162772 0.81 CES2 (0.50) CES2CES1NAAAHDAC8HDAC6
SCHEMBL10272245 0.81 CES2 (0.50) CES2CES1NAAAHDAC8HDAC6
SCHEMBL1228534 0.81 CES2 (0.50) CES2CES1NAAAHDAC8HDAC6
SCHEMBL12923059 0.81 CES2 (0.50) CES2CES1NAAAHDAC8HDAC6
SCHEMBL599277 0.81 CES2 (0.55) CES2CES1NAAAHDAC8HDAC6
SCHEMBL28425729 0.81 CES2 (0.55) CES2CES1NAAAHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638597-B2 Removal of metal contaminants from polyethylene EQUISTAR CHEMICALS, LP (US) 2009-12-29 US disclosed
US-7638597-B2 Removal of metal contaminants from polyethylene EQUISTAR CHEMICALS, LP (US) 2009-12-29 US disclosed
US-20090152169-A1 Removal of metal contaminants from polyethylene EQUISTAR CHEMICALS, LP 2009-06-18 US disclosed
US-20090152169-A1 Removal of metal contaminants from polyethylene EQUISTAR CHEMICALS, LP 2009-06-18 US disclosed
US-4533673-A 7-Oxabicycloheptane substituted enaminone prostaglandin analogs and their use in treatment of thrombolytic disease E. R. SQUIBB & SONS, INC. (US) 1985-08-06 US disclosed