SCHEMBL6960119

SCHEMBL6960119

[CH2]COC(=O)C1=CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
CTSK P43235 1/20 0.37
GSTP1 P09211 1/20 0.34
CHRM3 P20309 2/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL340678 0.82 HDAC4 (0.47) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL460399 0.80 CYP3A4 (0.47) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL824938 0.79 HDAC4 (0.44) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL10552076 0.78 HDAC4 (0.50) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL9858356 0.78 ALDH1A1 (0.46) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL6966273 0.78
SCHEMBL6049107 0.77 HDAC4 (0.48) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL12795938 0.77 HDAC4 (0.42) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL22324339 0.76 HDAC4 (0.47) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL11805525 0.76 HDAC4 (0.47) HDAC4HDAC2HDAC8HDAC6HDAC3

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed