SCHEMBL1670126

SCHEMBL1670126

CC(=O)OCc1ccoc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
TP53 P04637 2/20 0.55
ESR1 P03372 1/20 0.55
POLB P06746 1/20 0.55
APEX1 P27695 1/20 0.55
MAPK1 P28482 1/20 0.55
ESR2 Q92731 1/20 0.55
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 3/20 0.43
CYP3A4 P08684 1/20 0.41
BRD4 O60885 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALOX5 P09917 1/20 0.35
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL6949220 0.88 ALDH1A1 (0.50) L3MBTL1TDP1TP53ESR1POLB
SCHEMBL6946054 0.82 ALDH1A1 (0.45) L3MBTL1TDP1TP53ESR1POLB
SCHEMBL30117303 0.82 TDP1 (0.56) L3MBTL1TDP1TP53ESR1POLB
Hydrochloric Acid SCHEMBL11669124 0.81 TDP1 (0.56) L3MBTL1TDP1TP53ESR1POLB
SCHEMBL3945219 0.79 TDP1 (0.55) L3MBTL1TDP1TP53ESR1POLB
SCHEMBL28174969 0.79 ALDH1A1 (0.51) L3MBTL1TDP1TP53ESR1POLB
Acetic Acid SCHEMBL10395122 0.78 KMT2A (0.53) L3MBTL1TDP1TP53ESR1POLB
SCHEMBL867113 0.77 KMT2A (0.56) L3MBTL1TDP1TP53ESR1POLB
SCHEMBL23270938 0.76 TDP1 (0.51) L3MBTL1TDP1TP53ESR1POLB
SCHEMBL15330025 0.75 L3MBTL1 (0.65) L3MBTL1TDP1TP53ESR1POLB

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
EP-2486028-A1 METHOD FOR THE PREPARATION OF 2,5-FURANDICARBOXYLIC ACID AND FOR THE PREPARATION OF THE DIALKYL ESTER OF 2,5-FURANDICARBOXYLIC ACID Furanix Technologies B.V. (NL) 2012-08-15 EP disclosed
WO-2011043661-A1 METHOD FOR THE PREPARATION OF 2,5-FURANDICARBOXYLIC ACID AND FOR THE PREPARATION OF THE DIALKYL ESTER OF 2,5-FURANDICARBOXYLIC ACID FURANIX TECHNOLOGIES B.V. (NL) 2011-04-14 WO disclosed