SCHEMBL18257232

SCHEMBL18257232

COC(=O)CCCCCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.76
HDAC10 Q969S8 1/20 0.76
HDAC6 Q9UBN7 1/20 0.76
HDAC5 Q9UQL6 1/20 0.76
GBA1 P04062 3/20 0.59
GLB1 P16278 3/20 0.58
FUCA1 P04066 1/20 0.56
HTR1A P08908 3/20 0.55
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
THPO P40225 1/20 0.54
MTOR P42345 1/20 0.54
RAB9A P51151 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
EPHX2 P34913 1/20 0.53

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
SCHEMBL17697370 0.88 HDAC4 (0.79) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL15259321 0.88 HDAC4 (0.79) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL29524676 0.88 HDAC4 (0.79) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL15507473 0.88 HDAC4 (0.79) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL15515796 0.88 HDAC4 (0.79) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL8016351 0.88 HDAC4 (0.79) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL15515613 0.88 HDAC4 (0.79) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL591663 0.88 HDAC4 (0.79) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL18257191 0.88 HDAC4 (0.79) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL1712988 0.88 HDAC4 (0.79) HDAC4HDAC10HDAC6HDAC5GBA1

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
WO-2016187544-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-24 WO disclosed