SCHEMBL28078771

SCHEMBL28078771

O=C(O)c1ccc(Oc2ccc(Oc3ccc(C(=O)O)c(C(=O)O)c3)c(C3C4CC5CC(C4)CC3C5)c2)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
PYGL P06737 9/20 0.40
KDM4E B2RXH2 1/20 0.40
PYGM P11217 8/20 0.39
ALDH1A1 P00352 1/20 0.39
HPSE Q9Y251 1/20 0.39
TDP1 Q9NUW8 3/20 0.36
LMNA P02545 1/20 0.36
APEX1 P27695 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GALK1 P51570 1/20 0.36
CASP6 P55212 1/20 0.36
MCL1 Q07820 1/20 0.36
PLEC Q15149 1/20 0.36
PARP1 P09874 1/20 0.34
PARG Q86W56 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
SCHEMBL2709138 0.84 POLB (0.39) POLBPYGLKDM4EPYGMALDH1A1
SCHEMBL2708804 0.82 POLB (0.39) POLBPYGLKDM4EPYGMALDH1A1
SCHEMBL28078783 0.78 ALDH1A1 (0.43) POLBALDH1A1TDP1
SCHEMBL27971743 0.77 PYGL (0.37) POLBPYGLKDM4EPYGMALDH1A1
SCHEMBL28308668 0.77 POLB (0.47) POLBPYGLKDM4EPYGMALDH1A1
SCHEMBL16046931 0.74 RARB (0.46) POLBPYGLKDM4EPYGMALDH1A1
SCHEMBL2709745 0.74 POLB (0.49) POLBPYGLKDM4EPYGMALDH1A1
SCHEMBL28078641 0.74 CYP19A1 (0.42) ALDH1A1
SCHEMBL49365 0.73 POLB (0.70) POLBPYGLKDM4EPYGMALDH1A1
SCHEMBL29426403 0.73 POLB (0.70) POLBPYGLKDM4EPYGMALDH1A1

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-104004187-B Polyimide having side chain group and method for producing same 欣兴电子股份有限公司 2016-06-08 CN disclosed