SCHEMBL7690761

SCHEMBL7690761

CC(C)(C)OC(=O)C=CC(Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
XPO1 O14980 1/20 0.31

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
SCHEMBL7690756 1.00 DGAT1 (0.31) DGAT1HDAC3HDAC1HDAC2HDAC8
SCHEMBL1879467 0.80 GABRP (0.38) DGAT1HDAC3HDAC1HDAC2HDAC8
SCHEMBL5390239 0.80 GABRP (0.38) DGAT1HDAC3HDAC1HDAC2HDAC8
SCHEMBL2543491 0.78 HDAC3 (0.34) DGAT1HDAC3HDAC1HDAC2HDAC8
SCHEMBL10445585 0.78 HDAC3 (0.34) DGAT1HDAC3HDAC1HDAC2HDAC8
SCHEMBL43764 0.78 HCAR2 (0.45) DGAT1HDAC1HDAC2HDAC6XPO1
SCHEMBL43004 0.78 HCAR2 (0.45) DGAT1HDAC1HDAC2HDAC6XPO1
SCHEMBL375029 0.78 HCAR2 (0.45) DGAT1HDAC1HDAC2HDAC6XPO1
SCHEMBL31188738 0.77 GABRP (0.31) DGAT1HDAC3HDAC1HDAC2HDAC8
SCHEMBL27638180 0.76 HCAR2 (0.43) DGAT1HDAC1HDAC2HDAC6XPO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342627-B1 ESTER INTERCHANGE WITH ALCOHOL IN THE PRESENCE OF LANTHANOIDE METAL ALKOXIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-29 US disclosed