SCHEMBL30132471

SCHEMBL30132471

CC1(C)CC(=O)c2ccc(Oc3ccc(Cl)cc3)cc2O1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.72
PDE4B Q07343 1/20 0.61
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 3/20 0.56
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 2/20 0.52
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL20554746 1.00 MAOB (0.72) MAOBPDE4BALDH1A1KDM4ENPC1
SCHEMBL2319848 0.84 ALDH1A1 (0.67) MAOBPDE4BALDH1A1KDM4ENPC1
SCHEMBL31260255 0.81 MAOB (0.64) MAOBPDE4BALDH1A1KDM4ENPC1
SCHEMBL224979 0.81 MAOB (0.64) MAOBPDE4BALDH1A1KDM4ENPC1
SCHEMBL9825262 0.77 MAOB (0.67) MAOBPDE4BALDH1A1KDM4ENPC1
SCHEMBL2317705 0.77 MAOB (0.59) MAOBPDE4BALDH1A1KDM4ENPC1
SCHEMBL10403215 0.76 MAOB (0.57) MAOBPDE4BALDH1A1KDM4ENPC1
SCHEMBL10609734 0.76 MAOB (0.67) MAOBPDE4BALDH1A1KDM4ENPC1
SCHEMBL10403216 0.76 MAOB (0.67) MAOBPDE4BALDH1A1KDM4ENPC1
SCHEMBL10610580 0.76 MAOB (0.67) MAOBALDH1A1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 CN disclosed
CN-108430972-B Alpha, beta-unsaturated amide compound 协和麒麟株式会社 2022-12-27 CN disclosed