SCHEMBL27645331

SCHEMBL27645331

COCOc1ccc(N)cc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
POLB P06746 2/20 0.38
HTT P42858 2/20 0.38
USP2 O75604 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 2/20 0.38
GFER P55789 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
P2RX3 P56373 3/20 0.37
P2RX2 Q9UBL9 3/20 0.37
CYP19A1 P11511 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL10238812 0.84 GAA (0.58) GAAMAPTKDM4EALDH1A1POLB
SCHEMBL24133302 0.81 LMNA (0.40) MAPTKDM4EALDH1A1POLBUSP2
SCHEMBL19923313 0.81 ALDH1A1 (0.69) GAAMAPTKDM4EALDH1A1POLB
SCHEMBL2973838 0.80 GAA (0.52) GAAMAPTKDM4EALDH1A1POLB
SCHEMBL1599760 0.80 ALDH1A1 (0.56) GAAMAPTKDM4EALDH1A1POLB
SCHEMBL19617651 0.79 GABRA1 (0.37) GAAMAPTALDH1A1POLBHTT
SCHEMBL282475 0.79 ALDH1A1 (0.47) MAPTKDM4EALDH1A1HTTMEN1
SCHEMBL29970124 0.79 GABRA1 (0.37) GAAMAPTALDH1A1POLBHTT
SCHEMBL17034855 0.79 GAA (0.40) GAAMAPTALDH1A1HTTTSHR
SCHEMBL3162042 0.77 THRB (0.45) P2RX3P2RX2

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-101180097-A Novel phosphinic acid-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2008-05-14 CN disclosed
CN-1882327-A Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2006-12-20 CN disclosed