SCHEMBL29170010

SCHEMBL29170010

COC(=O)OC(=O)/C=C/c1ccc(OC)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.65
F3 P13726 2/20 0.64
HDAC3 O15379 2/20 0.63
HDAC1 Q13547 2/20 0.63
HDAC2 Q92769 2/20 0.63
HDAC8 Q9BY41 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
LMNA P02545 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
THRB P10828 1/20 0.62
ATM Q13315 1/20 0.62
MAPT P10636 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
HDAC4 P56524 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58

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
SCHEMBL1514193 1.00 GSK3B (0.65) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL30105639 0.86 GSK3B (0.73) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL1397478 0.86 GSK3B (0.73) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL1237222 0.86 GSK3B (0.73) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL28061671 0.85 CA12 (0.54) LMNATDP1THRBMAPTKMT2A
SCHEMBL18338902 0.85 F3 (0.66) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL6578188 0.85 F3 (0.66) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL27617009 0.85 CA12 (0.54) LMNATDP1THRBMAPTKMT2A
SCHEMBL4390386 0.84 GSK3B (0.58) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL28105145 0.83 KMT2A (0.67) GSK3BF3HDAC3HDAC1HDAC2

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-117715965-A Improved polymer compositions 杜邦聚合物公司 2024-03-15 CN disclosed