SCHEMBL12354546

SCHEMBL12354546

C=C(C)C(=O)OCCNC(=O)Nc1ccc(N(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
CNR1 P21554 3/20 0.52
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 6/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NOX1 Q9Y5S8 3/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL10093564 0.87 CNR1 (0.49) CNR1GAANPSR1MAPTNPC1
SCHEMBL3246106 0.85 GAA (0.54) CNR1GAANPSR1MAPTNPC1
SCHEMBL1735929 0.85 CNR1 (0.44) CNR1GAANPSR1MAPTNPC1
SCHEMBL23848315 0.84 MTNR1B (0.45) CNR1GAANPSR1MAPTNPC1
SCHEMBL31151992 0.84 CNR1 (0.43) CNR1GAANPSR1MAPTNPC1
SCHEMBL10060673 0.84 CNR1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3252273 0.84 NPSR1 (0.55) HDAC1HDAC8HDAC6GAANPSR1
SCHEMBL8910837 0.83 GAA (0.51) CNR1GAANPSR1MAPTNPC1
SCHEMBL19092271 0.83 SMN1; SMN2 (0.54) HDAC1HDAC6CNR1GAAMAPT
SCHEMBL3253715 0.83 POLB (0.53) HDAC1HDAC2CNR1GAANPSR1

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-20110189598-A1 DYE-CONTAINING NEGATIVE CURABLE COMPOSITION, COLOR FILTER USING SAME, METHOD OF PRODUCING COLOR FILTER, AND SOLID-STATE IMAGING DEVICE FUJIFILM CORPORATION (JP) 2011-08-04 US disclosed