SCHEMBL29976282

SCHEMBL29976282

COc1ccc(Cn2ccccc2=O)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
CA2 P00918 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
MAPK10 P53779 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
FAAH O00519 1/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
HSP90AA1 P07900 1/20 0.46

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
SCHEMBL3803936 0.87 DBH (0.55) LMNAHTTKMT2AMAPTKDM4E
SCHEMBL31167041 0.85 KLKB1 (0.43) LMNACHRNB2CHRNA7CHRNA4
SCHEMBL31166746 0.85 ALDH1A1 (0.45) LMNAMAPTALDH1A1GAA
SCHEMBL31167031 0.83 KLKB1 (0.47) MAPTMAPK10
SCHEMBL15906155 0.80 MAPT (0.46) LMNAKMT2AMAPTKDM4EMEN1
SCHEMBL19471891 0.79 TLR7 (0.45) LMNAKDM4EALDH1A1GAA
SCHEMBL28817529 0.79 MAPT (0.63) LMNAKMT2AMAPTKDM4EMEN1
SCHEMBL4326721 0.79 PDE4B (0.61) MAPTALDH1A1
SCHEMBL9752787 0.78 POLB (0.63) MAPTKDM4EALDH1A1THRB
SCHEMBL28159383 0.77 CA2 (0.57) LMNATSHRHTTKMT2AKDM4E

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
CN-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 CN disclosed