SCHEMBL5960563

SCHEMBL5960563

C=CC(=O)C(=O)CCCCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.60
ALDH1A1 P00352 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
PLA2G4B P0C869 7/20 0.56
RARB P10826 4/20 0.54
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PKM P14618 1/20 0.51
PLA2G4A P47712 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL27894195 0.85 HTT (0.63) HTTALDH1A1L3MBTL1TP53TSHR
SCHEMBL495530 0.85 HTT (0.63) HTTALDH1A1L3MBTL1TP53TSHR
Hydrochloric Acid SCHEMBL7084259 0.84 HTT (0.62) HTTALDH1A1L3MBTL1TP53TSHR
SCHEMBL2107828 0.84 ALDH1A1 (0.65) HTTALDH1A1L3MBTL1TP53TSHR
SCHEMBL8678922 0.82 HTT (0.67) HTTALDH1A1L3MBTL1TP53TSHR
SCHEMBL4351247 0.82 HTT (0.67) HTTALDH1A1L3MBTL1TP53TSHR
SCHEMBL2880470 0.82 HTT (0.67) HTTALDH1A1L3MBTL1TP53TSHR
SCHEMBL8678888 0.82 HTT (0.67) HTTALDH1A1L3MBTL1TP53TSHR
SCHEMBL9227168 0.81 HTT (0.70) HTTALDH1A1L3MBTL1TP53TSHR
SCHEMBL2180731 0.81 TP53 (0.82) HTTALDH1A1L3MBTL1TP53TSHR

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
JP-2006073355-A ION-CONDUCTIVE SOLID ELECTROLYTE NITTO DENKO CORP 2006-03-16 JP disclosed