SCHEMBL7974398

SCHEMBL7974398

COC1=C(OC)C(=O)C2=C(CCC(CCOc3cc(OC)cc(OC)c3)CC2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
PPARD Q03181 2/20 0.38
HPGD P15428 4/20 0.36
S1PR1 P21453 2/20 0.35
SGPL1 O95470 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
NFE2L2 Q16236 2/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL7971449 0.89 MAOB (0.44) MAOBPPARDHPGDDDB1CRBN
SCHEMBL7974878 0.87 HPGD (0.41) MAOBHPGDDRD2DRD4
SCHEMBL7974787 0.86 TEAD1 (0.45) MAOBPPARDHPGDDRD2DRD4
SCHEMBL7974650 0.84 MGAT2 (0.42) MAOBHPGDNFE2L2
SCHEMBL7961502 0.83 MAOB (0.40) MAOBHPGDNFE2L2
SCHEMBL7974962 0.83 MAOB (0.40) MAOBHPGDNFE2L2
SCHEMBL7971414 0.82 PPARD (0.43) MAOBPPARDHPGDITGB3ITGA2B
SCHEMBL7974454 0.81 HRH3 (0.43) MAOBPPARDHPGDNFE2L2
SCHEMBL7961113 0.81 HPGD (0.42) MAOBPPARDHPGDITGB3ITGA2B
SCHEMBL7974340 0.80 CHRNB2 (0.44) DRD2

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-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed