SCHEMBL4072834

SCHEMBL4072834

CC(C)(C)OC(=O)NCCCC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.57
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 2/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 1/20 0.53
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
DRD2 P14416 3/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4073139 0.98 EPHX1 (0.60) EPHX1TDP1KMT2AGAAMEN1
SCHEMBL4077144 0.93 TDP1 (0.59) EPHX1TDP1KMT2AGAAMEN1
SCHEMBL6799750 0.88 EPHX1 (0.63) EPHX1TDP1KMT2AGAAMEN1
SCHEMBL15358145 0.86 TDP1 (0.46) EPHX1TDP1KMT2AGAAMEN1
SCHEMBL4068905 0.86 TDP1 (0.51) EPHX1TDP1KMT2AGAAMEN1
SCHEMBL4071347 0.86 TDP1 (0.51) EPHX1TDP1KMT2AGAAMEN1
SCHEMBL16023429 0.86 TDP1 (0.51) EPHX1TDP1KMT2AGAAMEN1
SCHEMBL8393248 0.84 EPHX1 (0.48) EPHX1KMT2AMEN1SIGMAR1HRH4
SCHEMBL18256901 0.84 EPHX1 (0.51) EPHX1TDP1KMT2AGAAMEN1
SCHEMBL12634634 0.83 EPHX1 (0.51) EPHX1TDP1KMT2AGAAMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038041-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER Myriad Genetics, Inc. (US) 2009-03-25 EP disclosed
WO-2007134298-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INC. (US) 2007-11-22 WO disclosed