SCHEMBL28640783

SCHEMBL28640783

Cc1ccc(C2C(=O)Oc3c(C)cc(C(C)(C)C)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
POLB P06746 2/20 0.36
TSHR P16473 2/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 6/20 0.34
MAPT P10636 4/20 0.34
RECQL P46063 1/20 0.34
HPGD P15428 2/20 0.33
THRB P10828 2/20 0.33
HTR1D P28221 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL1232621 0.89 GAA (0.42) GAATSHRMEN1KMT2AALDH1A1
SCHEMBL9885965 0.87 POLB (0.35) GAAPOLBALDH1A1HPGD
SCHEMBL28635921 0.87 ALDH1A1 (0.48) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL25723556 0.85 GAA (0.51) GAAPOLBTSHRMEN1KMT2A
SCHEMBL28444554 0.85 GAA (0.44) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL5083913 0.83 GAA (0.38) GAAPOLB
SCHEMBL2612450 0.80 GAA (0.50) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL2612420 0.80 GABBR2 (0.41) GAAALDH1A1MAPTHPGDSLC6A2
SCHEMBL2612423 0.80 GAA (0.47) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL39132 0.79 GABBR2 (0.38) GAAALDH1A1HPGD

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-112778597-B Polyethylene composition, polyethylene double-layer composite material and preparation method thereof 国家能源投资集团有限责任公司 2022-04-19 CN disclosed
CN-112778597-A Polyethylene composition, polyethylene double-layer composite material and preparation method thereof 国家能源投资集团有限责任公司 2021-05-11 CN disclosed