SCHEMBL14498992

SCHEMBL14498992

Cc1cccc(CCCOCCOC(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
KCNH2 Q12809 3/20 0.38
CHEK1 O14757 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CCR1 P32246 1/20 0.32
CCR8 P51685 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL14279078 0.84 HRH3 (0.44) PPARGGABRA1GABRG2GABRB3GABRA5
SCHEMBL14524676 0.83 KCNH2 (0.43) PPARGGABRA1GABRG2GABRB3GABRA5
SCHEMBL14306289 0.81 KCNH2 (0.53) PPARGGABRA1GABRG2GABRB3GABRA5
SCHEMBL681576 0.81 KCNH2 (0.49) PPARGGABRA1GABRG2GABRB3GABRA5
SCHEMBL4750814 0.80 PPARG (0.41) PPARGGABRA1GABRG2GABRB3GABRA5
SCHEMBL4752742 0.80 PPARG (0.41) PPARGGABRA1GABRG2GABRB3GABRA5
SCHEMBL14305744 0.80 KCNH2 (0.46) PPARGGABRA1GABRG2GABRB3GABRA5
SCHEMBL14499024 0.79 PPARG (0.41) PPARGGABRA1GABRG2GABRB3GABRA5
SCHEMBL5659035 0.78 KCNH2 (0.41) PPARGGABRA1GABRG2GABRB3GABRA5
SCHEMBL6841102 0.74 MEN1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3

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-7226950-B2 Sodium channel modulators THERAVANCE, INC. (US) 2007-06-05 US disclosed