SCHEMBL5377448

SCHEMBL5377448

C[C@@H](c1ccc(N2CC[C@H](N(C(=O)O)C(C)(C)C)C2=O)cc1)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LIPE Q05469 5/20 0.36
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
CCNA1 P78396 3/20 0.33
PTPN1 P18031 1/20 0.33
HTT P42858 1/20 0.32
RORC P51449 4/20 0.32
ROCK2 O75116 2/20 0.31
ADAM17 P78536 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
SCHEMBL5380004 0.83 F10 (0.47)
SCHEMBL5371113 0.83 F10 (0.47)
SCHEMBL5380643 0.81 F10 (0.34) HDAC8HDAC6
SCHEMBL5371161 0.81 F10 (0.34) HDAC8HDAC6
SCHEMBL5958870 0.77 HDAC8 (0.37) HDAC8HDAC6HTT
SCHEMBL2698184 0.77 HDAC8 (0.46) HDAC8HDAC6HTT
SCHEMBL5936077 0.75 FPR2 (0.44) HDAC8HDAC6CCNA2CDK2CCNA1
SCHEMBL5380049 0.75 F10 (0.39)
SCHEMBL8299294 0.75 LIPE (0.38) LIPECCNA2CDK2CCNA1
SCHEMBL5386312 0.74 F10 (0.39)

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-7235544-B2 for use in conjunction with thrombolytic agents, thus permitting the use of a lower dose of thrombolytic agent; treatment of acute vascular diseases; may have potential in neurogenerative diseases such as Parkinson's and Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-06-26 US disclosed