SCHEMBL29487587

SCHEMBL29487587

COc1ccccc1C1=CCC2(CC1)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.44
TACR1 P25103 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
PTGS2 P35354 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
APP P05067 1/20 0.36
CRBN Q96SW2 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HTR7 P34969 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
CNR2 P34972 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL7209115 0.85 SUV39H2 (0.37) SUV39H2TACR1SMN1; SMN2TSHRALDH1A1
SCHEMBL22857365 0.85 SUV39H2 (0.42) SUV39H2TACR1SMN1; SMN2TSHRKDM4E
SCHEMBL18640108 0.81 BTK (0.35) SUV39H2SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL24460955 0.80 BRD4 (0.40) L3MBTL1MAPTCNR2
SCHEMBL4144078 0.80 SUV39H2 (0.39) SUV39H2SMN1; SMN2TSHRGSK3BALDH1A1
SCHEMBL20010988 0.79 SUV39H2 (0.40) SUV39H2SMN1; SMN2L3MBTL1CRBNGSK3B
SCHEMBL30392524 0.79 SUV39H2 (0.37) SUV39H2KDM4EMAPT
SCHEMBL630016 0.79 BTK (0.42) SUV39H2L3MBTL1CA1CA2RAB9A
SCHEMBL20010782 0.78 MAPK14 (0.33) SUV39H2CRBNALDH1A1HTR7KDM4E
SCHEMBL32662334 0.78 SLC6A3 (0.41) TSHRCRBNGSK3AGSK3BALDH1A1

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-114181136-A Substituted piperidine compounds and uses thereof 武田药品工业株式会社 2022-03-15 CN disclosed