SCHEMBL28217295

SCHEMBL28217295

CCc1c(C(C)C)cc(C(C)C)cc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.46
GABRB2 P47870 2/20 0.46
FABP4 P15090 3/20 0.45
FABP3 P05413 2/20 0.45
FABP5 Q01469 1/20 0.43
SOAT2 O75908 1/20 0.36
MYC P01106 1/20 0.36
SOAT1 P35610 1/20 0.36
MAP2K3 P46734 1/20 0.36
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HSP90AB1 P08238 1/20 0.30
GABRB1 P18505 3/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30

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
SCHEMBL22304547 0.85 GABRA1 (0.44) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL22905736 0.80 LMNA (0.37) GABRA1GABRG2GABRB3CA1CA2
SCHEMBL8134393 0.78 GABRA1 (0.45) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL8136838 0.78 GABRA1 (0.45) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL6064666 0.78 GABRA1 (0.45) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL25138922 0.78 GCGR (0.38) GABRA1GABRG2GABRB3CA1CA2
SCHEMBL22899687 0.78 GABRA1 (0.54) GABRA1GABRG2GABRB3CA1CA2
SCHEMBL25219460 0.78 GABRA1 (0.45) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL22899668 0.78 GABRA1 (0.54) GABRA1GABRG2GABRB3CA1CA2
SCHEMBL8127965 0.78 GABRA1 (0.58) GABRA1GABRB2FABP4FABP3FABP5

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-103524392-B As for treating the azetidine of the MEK inhibitor of proliferative disease 埃克塞利希斯股份有限公司 2018-06-01 CN disclosed