SCHEMBL7437262

SCHEMBL7437262

CCOC(=O)CNC(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 8/20 0.49
ATM Q13315 2/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 5/20 0.47
POLB P06746 3/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CTSK P43235 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43

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
SCHEMBL3175852 0.86 CYP1A2 (0.49) TDP1MEN1KMT2AGAAPOLB
SCHEMBL23685298 0.85 TDP1 (0.51) TDP1ATMMEN1KMT2AGAA
SCHEMBL18161573 0.84 ABCB1 (0.58) MAPT
SCHEMBL31758256 0.80 TDP1 (0.61) TDP1ATMMEN1KMT2AGAA
SCHEMBL22381487 0.80 MAOA (0.64) TDP1MEN1KMT2AGAANPSR1
SCHEMBL25455532 0.80 KMT2A (0.56) TDP1ATMMEN1KMT2AGAA
SCHEMBL12972616 0.80 MAOA (0.45) TDP1ATMMEN1KMT2AGAA
SCHEMBL11251419 0.80 MEN1 (0.54) TDP1ATMMEN1KMT2AGAA
SCHEMBL26789202 0.79 MEN1 (0.52) TDP1ATMMEN1KMT2AGAA
SCHEMBL24712285 0.79 MEN1 (0.47) TDP1ATMMEN1KMT2AGAA

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-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed