SCHEMBL880996

SCHEMBL880996

CC(C)(C)OC(=O)NCCC1CCC(O)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.50
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
BTK Q06187 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CACNA1H O95180 1/20 0.38
CHRM2 P08172 1/20 0.36

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
SCHEMBL4433319 0.92 EPHX1 (0.50) EPHX1TDP1KMT2AMEN1GAA
SCHEMBL4433316 0.92 EPHX1 (0.50) EPHX1TDP1KMT2AMEN1GAA
SCHEMBL20196991 0.89 TDP1 (0.47) EPHX1TDP1KMT2AMEN1GAA
SCHEMBL12648114 0.89 EPHX1 (0.55) EPHX1TDP1KMT2AMEN1GAA
SCHEMBL17235806 0.84 KMT2A (0.46) EPHX1TDP1KMT2ACTSSCTSK
SCHEMBL27808853 0.83 EPHX1 (0.50) EPHX1TDP1KMT2AMEN1GAA
SCHEMBL5030185 0.83 TDP1 (0.51) EPHX1TDP1KMT2AMEN1GAA
SCHEMBL5030182 0.83 TDP1 (0.51) EPHX1TDP1KMT2AMEN1GAA
SCHEMBL6014890 0.82 BTK (0.54) EPHX1TDP1KMT2AMEN1GAA
SCHEMBL23236537 0.81 EPHX1 (0.49) EPHX1TDP1KMT2AMEN1GAA

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-2433926-A1 Pleuromutilin derivatives for use in the treatment of diseases mediated by microbes Nabriva Therapeutics AG (AT) 2012-03-28 EP disclosed