SCHEMBL27630623

SCHEMBL27630623

COCOC(CCCCCCC(=O)OCl)CCCCc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MGLL Q99685 1/20 0.39
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
LTB4R Q15722 2/20 0.37
NAAA Q02083 1/20 0.37
MME P08473 1/20 0.37
GAA P10253 1/20 0.34
PLAAT3 P53816 1/20 0.34
PLAAT5 Q96KN8 1/20 0.34

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
SCHEMBL4661332 0.83 KCNH2 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4661115 0.80 PPARA (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4661171 0.79 MME (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4661420 0.78 KCNH2 (0.34) PPARAPPARG
SCHEMBL4661413 0.75 PPARA (0.37) PPARAPPARGMMEGAAALDH1A1
SCHEMBL4662610 0.74 MME (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27909851 0.74 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
Cyclopropane SCHEMBL11851783 0.70 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11039828 0.70 CYP4Z1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4661136 0.69 PPARA (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2

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
CN-1795163-A Carboxylic compound and medicine comprising the same KOWA CO (JP) 2006-06-28 CN disclosed