SCHEMBL10488261

SCHEMBL10488261

BrCCCCOCCCCc1ccc(N2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
L3MBTL3 Q96JM7 2/20 0.41
SLC13A5 Q86YT5 1/20 0.40
MAPT P10636 5/20 0.39
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
NPC1 O15118 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL9764494 0.94 GSK3B (0.46) GSK3BALDH1A1KDM4EALOX15HSD17B10
SCHEMBL10465456 0.85 HRH3 (0.47) L3MBTL3L3MBTL1SIGMAR1FFAR4
SCHEMBL9762919 0.84 HRH3 (0.46) L3MBTL3L3MBTL1SIGMAR1FFAR4
SCHEMBL10463990 0.83 HRH3 (0.48) ALDH1A1ALOX15HPGDL3MBTL3MAPT
SCHEMBL27279231 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EALOX15HSD17B10L3MBTL3
SCHEMBL9763380 0.81 HRH3 (0.50) KDM4EHPGDRAB9ANPC1MEN1
SCHEMBL10488181 0.80 SLC13A5 (0.42) ALDH1A1KDM4EALOX15HSD17B10L3MBTL3
SCHEMBL1681747 0.80 GSK3B (0.53) GSK3BALDH1A1KDM4EALOX15HSD17B10
SCHEMBL10488193 0.76 SLC13A5 (0.52) ALDH1A1KDM4ESLC13A5MAPTRAB9A
SCHEMBL1532698 0.75 SLC13A5 (0.49) GSK3BALDH1A1KDM4EALOX15HSD17B10

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