Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL5533870

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

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 9/20 0.52
SLC6A4 P31645 4/20 0.41
SLC7A5 Q01650 3/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
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
KCNK2 O95069 2/20 0.41
KCNH2 Q12809 2/20 0.41
CACNA1C Q13936 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
SCHEMBL5533878 0.90 SLC6A9 (0.51) SLC6A9SLC6A4SLC7A5SLC6A2SLC6A3
Glutarate SCHEMBL140225 0.84 SLC6A4 (0.60) SLC6A9SLC6A4SLC7A5SLC6A2SLC6A3
SCHEMBL140226 0.76 SLC6A9 (0.48) SLC6A9SLC6A4SLC7A5SLC6A2SLC6A3
SCHEMBL6566500 0.74 SLC6A9 (0.52) SLC6A9SLC6A4SLC7A5SLC6A2SLC6A3
SCHEMBL6749875 0.72 SLC6A9 (0.50) SLC6A9SLC6A4SLC7A5SLC6A2SLC6A3
SCHEMBL6004122 0.72 SLC6A9 (0.56) SLC6A9SLC6A4SLC7A5SLC6A2SLC6A3
SCHEMBL5401880 0.72 SLC6A4 (0.74) SLC6A9SLC6A4SLC7A5SLC6A2SLC6A3
SCHEMBL17278092 0.71 SLC7A5 (0.76) SLC6A9SLC6A4SLC7A5SLC6A2SLC6A3
SCHEMBL12793277 0.71 SMN1; SMN2 (0.67) HRH3NPC1RAB9AKDM4EMEN1
SCHEMBL6005572 0.71 SLC6A9 (0.74) 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