SCHEMBL9678409

SCHEMBL9678409

CCCCC(CC(C)=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ HDAC3 O15379 2/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC7 Q8WUI4 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC9 Q9UKV0 2/20 0.43
▸ HDAC5 Q9UQL6 2/20 0.43
▸ GABBR2 O75899 1/20 0.43
▸ GABBR1 Q9UBS5 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ NAAA Q02083 2/20 0.42
▸ F2 P00734 1/20 0.42
▸ MMP1 P03956 4/20 0.41
▸ MMP7 P09237 3/20 0.41
▸ MMP12 P39900 3/20 0.41

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
SCHEMBL2289954 0.88 GABBR2 (0.58) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL28088769 0.85 ALDH1A1 (0.51) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL13559962 0.83 GABBR2 (0.53) GABBR2GABBR1MTNR1AMTNR1BKDM4E
SCHEMBL7663044 0.83 GABBR2 (0.56) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL9424092 0.82 ALDH1A1 (0.52) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL1500385 0.82 GABBR2 (0.48) POLBHDAC8HDAC6GABBR2GABBR1
SCHEMBL27688433 0.81 GABBR2 (0.54) GABBR2GABBR1NAAAMMP1MMP12
SCHEMBL3242852 0.81 GABBR2 (0.54) GABBR2GABBR1NAAAMMP1MMP12
SCHEMBL4403980 0.81 GABBR2 (0.54) GABBR2GABBR1NAAAMMP1MMP12
SCHEMBL6682502 0.81 POLB (0.47) POLBCNR2KDM4EALDH1A1MAPT

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-5134238-A Chiral copper amine complexes BRIGHAM YOUNG UNIVERSITY (US) 1992-07-28 — — US disclosed
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