SCHEMBL4077144

SCHEMBL4077144

CC(C)(C)OC(=O)NCCCC1CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
EPHX1 P07099 1/20 0.53
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
CA12 O43570 6/20 0.49
CA1 P00915 6/20 0.49
CA2 P00918 6/20 0.49
CA9 Q16790 6/20 0.49
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.41
FPR3 P25089 2/20 0.41
FPR2 P25090 2/20 0.41
STK17B O94768 1/20 0.41
STK17A Q9UEE5 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
SCHEMBL4072834 0.93 EPHX1 (0.57) TDP1KMT2AMEN1GAAEPHX1
SCHEMBL4073139 0.92 EPHX1 (0.60) TDP1KMT2AMEN1GAAEPHX1
SCHEMBL18256901 0.90 EPHX1 (0.51) TDP1KMT2AMEN1GAAEPHX1
SCHEMBL12648114 0.89 EPHX1 (0.55) TDP1KMT2AMEN1GAAEPHX1
SCHEMBL16023429 0.89 TDP1 (0.51) TDP1KMT2AMEN1GAAEPHX1
SCHEMBL6243164 0.89 TDP1 (0.59) TDP1KMT2AMEN1GAAEPHX1
SCHEMBL4068905 0.89 TDP1 (0.51) TDP1KMT2AMEN1GAAEPHX1
SCHEMBL4071347 0.89 TDP1 (0.51) TDP1KMT2AMEN1GAAEPHX1
SCHEMBL7816256 0.87 TDP1 (0.61) TDP1KMT2AMEN1GAAEPHX1
SCHEMBL19594077 0.86 TDP1 (0.56) TDP1KMT2AMEN1GAAEPHX1

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