SCHEMBL4801766

SCHEMBL4801766

CN1CCC(NCCOc2cccc(CC(=O)O)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAOB P27338 6/20 0.46
SIGMAR1 Q99720 1/20 0.46
PLA2G4B P0C869 1/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
SSTR4 P31391 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ROCK1 Q13464 1/20 0.44

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
SCHEMBL10222197 0.83 PPARG (0.58) KDM4EMAOBPLA2G4BROCK1
SCHEMBL4145891 0.80 LTA4H (0.56) KDM4EALDH1A1SIGMAR1SMN1; SMN2
SCHEMBL5348782 0.78 ROCK1 (0.56) KDM4EALDH1A1MAOBSIGMAR1PLA2G4B
SCHEMBL4135562 0.77 KDM4E (0.57) KDM4EALDH1A1PLA2G4BACHESMN1; SMN2
SCHEMBL13305516 0.76 LTA4H (0.55) KDM4EALDH1A1BCHEACHESSTR4
Hydrochloric Acid SCHEMBL4129206 0.76 KDM4E (0.56) KDM4EALDH1A1PLA2G4BACHESMN1; SMN2
SCHEMBL25081992 0.75 PLA2G4B (0.62) PLA2G4BKMT2A
SCHEMBL30278809 0.75 PLA2G4B (0.62) PLA2G4BKMT2A
SCHEMBL23639968 0.73 KDM4E (0.49) KDM4EALDH1A1TDP1MAOBBCHE
SCHEMBL25081990 0.73 PLA2G4B (0.68) KDM4EALDH1A1PLA2G4B

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
EP-1939202-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP disclosed