SCHEMBL10488181

SCHEMBL10488181

CC(C)(N)CCCCOCCCCc1ccc(N2CCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 7/20 0.38
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
NPC1 O15118 2/20 0.38
GAA P10253 2/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
LGMN Q99538 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL9764710 0.95 SLC13A5 (0.42) SLC13A5SIGMAR1MAPTRAB9AL3MBTL1
SCHEMBL10488193 0.83 SLC13A5 (0.52) SLC13A5MAPTRAB9AL3MBTL1NPC1
SCHEMBL28333186 0.82 SLC13A5 (0.53) SLC13A5SIGMAR1MAPTRAB9AL3MBTL1
SCHEMBL10488261 0.80 GSK3B (0.46) SLC13A5SIGMAR1MAPTRAB9AL3MBTL1
SCHEMBL27279231 0.80 ALDH1A1 (0.42) SLC13A5MAPTRAB9AL3MBTL1NPC1
SCHEMBL9764440 0.79 SLC13A5 (0.52) SLC13A5MAPTRAB9AL3MBTL1NPC1
SCHEMBL9764494 0.75 GSK3B (0.46) SLC13A5MAPTRAB9AL3MBTL1NPC1
SCHEMBL10488172 0.75 MAPT (0.43) SLC13A5MAPTRAB9AL3MBTL1NPC1
SCHEMBL4969194 0.73 SLC13A5 (0.46) SLC13A5SIGMAR1MAPTRAB9AL3MBTL1
SCHEMBL19245042 0.72 S1PR1 (0.59) MAPTRAB9AL3MBTL1NPC1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4853382-A TREATING ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1989-08-01 US disclosed
EP-0178919-B1 AMINOPHENOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1988-12-21 EP disclosed
US-4730008-A STIMULANT FOR BETA-ADRENORECEPTORS GLAXO GROUP LIMITED (GB) 1988-03-08 US disclosed
EP-0178919-A2 Aminophenol derivatives GLAXO GROUP LIMITED (GB) 1986-04-23 EP disclosed