SCHEMBL9402804

SCHEMBL9402804

CC(C)ONC(=O)c1ccc(C(=O)C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 4/20 0.47
HDAC1 Q13547 1/20 0.42
NR1H4 Q96RI1 3/20 0.40
HDAC3 O15379 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 1/20 0.39
TRPV1 Q8NER1 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
PGR P06401 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL9402795 0.81 TDP1 (0.39) MLYCDNR1H4MAPTNPC1
SCHEMBL25137571 0.80 MLYCD (0.43) MLYCDHDAC1HDAC6MAPTNPC1
SCHEMBL9184350 0.80 MAPT (0.44) MLYCDHDAC1MAPTNPC1RAB9A
SCHEMBL9402592 0.79 MLYCD (0.42) MLYCDHDAC1MAPTNPC1RAB9A
SCHEMBL27920780 0.79 ALDH1A1 (0.55) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5390967 0.78 ALDH1A1 (0.55) HDAC1HDAC3HDAC8HDAC6MAPT
SCHEMBL28796093 0.77 CA1 (0.62) MAPTNPC1RAB9ASMN1; SMN2CA1
SCHEMBL23921254 0.76 MLYCD (0.40) MLYCDHDAC1HDAC6MAPTNPC1
SCHEMBL9781221 0.76 MPO (0.57) MLYCDHDAC1HDAC6MAPTCA1
SCHEMBL9402921 0.75 MLYCD (0.35) MLYCDHDAC1HDAC3HDAC8HDAC6

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
US-5319123-A Reacting an N-alkoxyamide with an acyl halide in the presence of a hindered base SANDOZ LTD. (CH) 1994-06-07 US disclosed