SCHEMBL8639137

SCHEMBL8639137

CCOC(=O)CC1(c2ccc(OC)c(Cl)c2)CNC(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
POLB P06746 1/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CUL4A Q13619 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL6991097 0.90 ALDH1A1 (0.55) GAAALDH1A1SMN1; SMN2POLBPDE4A
SCHEMBL6992040 0.89 SLC6A4 (0.47) GAAMAPTSMN1; SMN2SLC6A2SLC6A4
SCHEMBL6995994 0.84 GAA (0.41) GAAALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL7465770 0.82 GAA (0.37) GAAALDH1A1MAPTSMN1; SMN2SLC6A2
SCHEMBL6998444 0.82 GAA (0.45) GAAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL7490147 0.81 GAA (0.40) GAAALDH1A1MAPTSMN1; SMN2SLC6A2
SCHEMBL11816778 0.81 GAA (0.42) GAAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL7487771 0.80 KMT2A (0.37) GAAALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL7954832 0.79 OPRM1 (0.44) GAAALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL11817118 0.79 GAA (0.41) GAAALDH1A1SLC6A2SLC6A3KDM4E

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-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed