SCHEMBL9763470

SCHEMBL9763470

CCSc1ccc(CCOCCCCCCBr)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.38
MAOA P21397 2/20 0.38
KCNH2 Q12809 1/20 0.35
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
MAOB P27338 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32

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
SCHEMBL10488711 0.84 KCNH2 (0.37) SLC6A4MAOAKCNH2TDP1L3MBTL1
SCHEMBL9574312 0.82 KCNH2 (0.43) KCNH2THRATHRBTDP1L3MBTL1
SCHEMBL9574215 0.82 KCNH2 (0.43) KCNH2THRATHRBTDP1L3MBTL1
SCHEMBL10488192 0.80 SLC6A4 (0.38) SLC6A4MAOAALDH1A1SPHK1NPC1
SCHEMBL9764482 0.79 KCNH2 (0.54) KCNH2THRATHRBTDP1L3MBTL1
SCHEMBL9574256 0.79 KCNH2 (0.54) KCNH2THRATHRBTDP1L3MBTL1
SCHEMBL10867015 0.78 ALDH1A1 (0.35) SLC6A4KCNH2THRATHRBMEN1
SCHEMBL9763511 0.78 TDP1 (0.40) SLC6A4MAOATHRATHRBTDP1
SCHEMBL10465003 0.78 TDP1 (0.37) SLC6A4MAOAKCNH2THRATHRB
SCHEMBL9764497 0.76 TDP1 (0.55) TDP1L3MBTL1SMN1; SMN2MAOBNPC1

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-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed