SCHEMBL5533878

SCHEMBL5533878

CC(C)(C)c1ccc(OC(CCOC(=O)CCCC(=O)ON)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 9/20 0.51
SLC7A5 Q01650 4/20 0.43
SLC6A4 P31645 4/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A3 Q01959 3/20 0.43
KCNK2 O95069 2/20 0.43
KCNH2 Q12809 2/20 0.43
CACNA1C Q13936 2/20 0.43
HRH3 Q9Y5N1 2/20 0.41
NPC1 O15118 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
MTOR P42345 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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
Ammonia Solution, Strong SCHEMBL5533870 0.90 SLC6A9 (0.52) SLC6A9SLC7A5SLC6A4SLC6A2SLC6A3
Glutarate SCHEMBL140225 0.79 SLC6A4 (0.60) SLC6A9SLC7A5SLC6A4SLC6A2SLC6A3
SCHEMBL140226 0.77 SLC6A9 (0.48) SLC6A9SLC7A5SLC6A4SLC6A2SLC6A3
SCHEMBL5401880 0.74 SLC6A4 (0.74) SLC6A9SLC7A5SLC6A4SLC6A2SLC6A3
SCHEMBL17278092 0.73 SLC7A5 (0.76) SLC6A9SLC7A5SLC6A4SLC6A2SLC6A3
SCHEMBL6004122 0.71 SLC6A9 (0.56) SLC6A9SLC7A5SLC6A4SLC6A2SLC6A3
SCHEMBL6005572 0.70 SLC6A9 (0.74) SLC6A9SLC6A4HRH3CYP2D6CYP2C19
SCHEMBL6566500 0.69 SLC6A9 (0.52) SLC6A9SLC7A5SLC6A4SLC6A2SLC6A3
SCHEMBL14497800 0.68 LMNA (0.51) SLC6A9RAB9AKDM4EMEN1KMT2A
SCHEMBL6565592 0.67 SLC6A9 (0.78) SLC6A9SLC6A4HRH3CYP2D6CYP2C19

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-20070198063-A1 Electrical devices and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed