SCHEMBL8350519

SCHEMBL8350519

CC(C)=CC(=O)c1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
PSMD14 O00487 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
MYC P01106 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL13305065 0.84 GPR52 (0.45) GPR52SMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL13305057 0.82 GPR52 (0.44) GPR52SMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL11528932 0.80 GPR52 (0.61) GPR52SMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL11528927 0.80 GPR52 (0.61) GPR52SMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL6218684 0.80 MEN1 (0.58) GPR52SMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL3311627 0.80 GPR52 (0.49) GPR52SMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL29566671 0.80 MEN1 (0.58) GPR52SMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL3311630 0.80 GPR52 (0.49) GPR52SMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL3311666 0.80 GPR52 (0.49) GPR52SMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL13183389 0.80 GPR52 (0.42) GPR52SMN1; SMN2HPGDLMNAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010110400-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-09-30 WO disclosed
WO-2009101917-A1 BICYCLOAMINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-08-20 WO disclosed
WO-2003030886-A2 ALLYLAMIDES USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC (US) 2003-04-17 WO disclosed