SCHEMBL7060749

SCHEMBL7060749

CC1=CCCCC1.CC1=CCCCC1.O=C(O)OC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
CTSK P43235 1/20 0.34
GSTP1 P09211 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
PTPN1 P18031 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 2/20 0.32
TAAR1 Q96RJ0 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 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
SCHEMBL3682136 1.00 HDAC4 (0.37) HDAC4HDAC2HDAC8HDAC6CTSK
Bicarbonate SCHEMBL9412268 0.98 HDAC4 (0.36) HDAC4HDAC2HDAC8HDAC6CTSK
Bicarbonate SCHEMBL5451359 0.98 HDAC4 (0.36) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL9622064 0.92 HDAC4 (0.35) HDAC4HDAC2HDAC8HDAC6CTSK
Bicarbonate SCHEMBL8758237 0.87 HDAC4 (0.42) HDAC4HDAC2HDAC8HDAC6CTSK
Bicarbonate SCHEMBL2299877 0.87 HDAC4 (0.42) HDAC4HDAC2HDAC8HDAC6CTSK
Acetic Acid SCHEMBL28119349 0.85 HDAC4 (0.41) HDAC4HDAC2HDAC8HDAC6CTSK
Hydrogen Peroxide SCHEMBL9155269 0.85
Methyl Alcohol SCHEMBL8591271 0.80
SCHEMBL3959 0.80

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
WO-2003031494-A1 POLYESTER COGNIS DEUTSCHLAND GMBH & CO. KG (DE) 2003-04-17 WO disclosed