SCHEMBL3953306

SCHEMBL3953306

O=Cc1ccoc1C(=O)OCc1ccoc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ESR1 P03372 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
MAPK1 P28482 1/20 0.45
ESR2 Q92731 1/20 0.45
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.36
BRD4 O60885 1/20 0.31
PPARG P37231 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
SCHEMBL3953309 0.79 KMT2A (0.45) L3MBTL1TDP1ESR1TP53POLB
SCHEMBL4641229 0.78 KMT2A (0.40) L3MBTL1TDP1ESR1TP53POLB
SCHEMBL8853712 0.77 RAB9A (0.44) L3MBTL1TDP1ESR1TP53POLB
SCHEMBL23270938 0.75 TDP1 (0.51) L3MBTL1TDP1ESR1TP53POLB
SCHEMBL1670126 0.75 L3MBTL1 (0.55) L3MBTL1TDP1ESR1TP53POLB
SCHEMBL30117303 0.74 TDP1 (0.56) L3MBTL1TDP1ESR1TP53POLB
SCHEMBL3945219 0.72 TDP1 (0.55) L3MBTL1TDP1ESR1TP53POLB
SCHEMBL30999728 0.72 ALDH1A1 (0.43) POLBKMT2A
SCHEMBL2557126 0.71 TP53 (0.61) L3MBTL1TDP1ESR1TP53POLB
SCHEMBL2561272 0.71 POLB (0.48) L3MBTL1TDP1ESR1TP53POLB

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
WO-2009023174-A2 ENZYMATIC OXIDATION OF HMF ARCHER DANIELS MIDLAND COMPANY (US) 2009-02-19 WO disclosed