SCHEMBL3629130

SCHEMBL3629130

C=CC(=O)C(=O)C1=CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.48
HDAC4 P56524 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC1 Q13547 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CTSK P43235 1/20 0.40
CCR2 P41597 1/20 0.34
ACMSD Q8TDX5 1/20 0.32
GSTP1 P09211 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL4022755 0.82 HDAC2 (0.53) HDAC2HDAC4HDAC8HDAC6HDAC1
Hydrochloric Acid SCHEMBL10623276 0.77 HDAC2 (0.57) HDAC2HDAC4HDAC8HDAC6HDAC1
Acrylic Acid SCHEMBL11875949 0.77 HDAC2 (0.48) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL3629657 0.77 HDAC2 (0.44) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL8833264 0.75 HDAC2 (0.55) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL12982446 0.75 HDAC4 (0.45) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL11032178 0.75 HDAC2 (0.43) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL4635958 0.74 HDAC2 (0.50) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL3628743 0.74 HDAC2 (0.53) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL22639095 0.73

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-7695863-B2 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD. (JP) 2010-04-13 US disclosed
US-20080102377-A1 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD (JP) 2008-05-01 US disclosed