SCHEMBL4848668

SCHEMBL4848668

CC(C)(C)OC(=O)NC(CO)(C(=O)O)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.40
CTSS P25774 3/20 0.40
CTSK P43235 3/20 0.40
BTK Q06187 1/20 0.39
GAA P10253 2/20 0.38
KMT2A Q03164 4/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CACNA1B Q00975 1/20 0.33
MEN1 O00255 1/20 0.33
ACE P12821 1/20 0.32

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
SCHEMBL4848663 1.00 EPHX1 (0.40) EPHX1CTSSCTSKBTKGAA
SCHEMBL16469900 0.98 EPHX1 (0.43) EPHX1CTSSCTSKBTKGAA
SCHEMBL490642 0.88 CTSS (0.41) EPHX1CTSSCTSKBTKGAA
SCHEMBL1147463 0.88 CTSS (0.41) EPHX1CTSSCTSKBTKGAA
SCHEMBL16470240 0.85 EPHX1 (0.42) EPHX1CTSSCTSKBTKGAA
SCHEMBL27757442 0.84 CTSS (0.40) EPHX1CTSSCTSKBTKGAA
SCHEMBL376033 0.84 CTSS (0.40) EPHX1CTSSCTSKBTKGAA
SCHEMBL375865 0.84 CTSS (0.40) EPHX1CTSSCTSKBTKGAA
SCHEMBL375738 0.84 EPHX1 (0.38) EPHX1CTSSCTSKBTKGAA
SCHEMBL490856 0.83 CTSK (0.39) EPHX1CTSSCTSKBTKGAA

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
WO-2008053157-A1 AMINOHETEROARYL COMPOUNDS AS FOR THE TREATMENT OF DISEASES MEDIATED BY C-MET KINASE ACTIVITY CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed