SCHEMBL28297982

SCHEMBL28297982

O=C(OC(=O)c1ccc(C(=O)OC(=O)c2ccco2)o1)c1ccco1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.55
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
HSD17B10 Q99714 3/20 0.51
ALDH1A1 P00352 4/20 0.49
TSHR P16473 2/20 0.49
MEN1 O00255 2/20 0.49
TP53 P04637 1/20 0.49
PTPN1 P18031 2/20 0.49
PTPN2 P17706 1/20 0.49
PTPN6 P29350 1/20 0.49
PTPN11 Q06124 1/20 0.49
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL896787 0.92 CES2 (0.62) KMT2ACES2CES1HSD17B10ALDH1A1
SCHEMBL22462700 0.85 KMT2A (0.61) KMT2ACES2CES1HSD17B10ALDH1A1
SCHEMBL28278771 0.83 KMT2A (0.58) KMT2ACES2CES1HSD17B10ALDH1A1
SCHEMBL7746320 0.81 SMN1; SMN2 (0.59) KMT2ACES2CES1HSD17B10ALDH1A1
SCHEMBL584513 0.80 KMT2A (0.56) KMT2ACES2CES1HSD17B10ALDH1A1
SCHEMBL2201261 0.79 CES2 (0.62) KMT2ACES2CES1HSD17B10ALDH1A1
SCHEMBL28201534 0.78 KMT2A (0.54) KMT2ACES2CES1HSD17B10ALDH1A1
SCHEMBL28275168 0.78 KMT2A (0.53) KMT2ACES2CES1HSD17B10ALDH1A1
Potassium Ion SCHEMBL28875571 0.78 KMT2A (0.53) KMT2ACES2CES1HSD17B10ALDH1A1
SCHEMBL28247508 0.78 KMT2A (0.53) KMT2ACES2CES1HSD17B10ALDH1A1

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-109824636-A The preparation method of 2,5- furandicarboxylic acid 重庆化工职业学院 2019-05-31 CN claimed