SCHEMBL5373336

SCHEMBL5373336

CC(C)CC(C)OC(=O)c1cccc(C(=O)OC(C)CC(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL5366430 0.87 KMT2A (0.46) MAPTRAB9AKMT2AGAAHSD17B10
SCHEMBL27628287 0.87 LMNA (0.55) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL5375275 0.85 MAPT (0.48) MAPTRAB9AKMT2AGAAHSD17B10
SCHEMBL14690342 0.84 RAB9A (0.61) MAPTRAB9AKMT2AL3MBTL1NPC1
SCHEMBL570196 0.84 RAB9A (0.61) MAPTRAB9AKMT2AL3MBTL1NPC1
SCHEMBL7859273 0.84 CA12 (0.53) MAPTL3MBTL1CA12CA1CA2
SCHEMBL1787876 0.83 RAB9A (0.54) MAPTRAB9AKMT2AL3MBTL1NPC1
SCHEMBL1072030 0.83 HPGD (0.50) MAPTRAB9AL3MBTL1SMN1; SMN2
SCHEMBL30395772 0.83 HPGD (0.50) MAPTRAB9AL3MBTL1SMN1; SMN2
SCHEMBL5366424 0.82 MAPT (0.46) MAPTRAB9AKMT2AGAAHSD17B10

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
US-7208545-B1 Selected cyclohexane -1,3-and -1,4-dicarboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2007-04-24 US claimed
EP-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP claimed
US-7208545-B1 Selected cyclohexane -1,3-and -1,4-dicarboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2007-04-24 US disclosed