Aes-103

Aes-103

SCHEMBL2894582

CCCCCCCCCCOCCCCCCCCCC.O=Cc1ccc(CO)o1

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
TSHR P16473 2/20 0.63
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
STAT1 P42224 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
EPHX2 P34913 1/20 0.37
DNMT1 P26358 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CES2 O00748 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35

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
Aes-103 SCHEMBL2896613 1.00 ALDH1A1 (0.63) ALDH1A1TSHRMAPTMEN1KMT2A
Aes-103 SCHEMBL2899976 1.00 ALDH1A1 (0.63) ALDH1A1TSHRMAPTMEN1KMT2A
Aes-103 SCHEMBL2900093 1.00 ALDH1A1 (0.63) ALDH1A1TSHRMAPTMEN1KMT2A
Aes-103 SCHEMBL2902667 0.94 ALDH1A1 (0.55) ALDH1A1TSHREPHX2
Aes-103 SCHEMBL2899876 0.91 ALDH1A1 (0.52) ALDH1A1TSHREPHX2
Aes-103 SCHEMBL4300664 0.88 ALDH1A1 (0.67) ALDH1A1TSHRMAPTHTTSMN1; SMN2
SCHEMBL25207012 0.85 ALDH1A1 (0.45) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL1664842 0.85 ALDH1A1 (0.45) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL2899979 0.85 ALDH1A1 (0.45) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL2894583 0.85 ALDH1A1 (0.45) ALDH1A1TSHRMAPTMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197866-B1 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS AND HIGHER ALCOHOLS FURANIX TECHNOLOGIES BV (NL) 2013-02-27 EP claimed
US-20100218415-A1 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS AND HIGHER ALCOHOLS FURANIX TECHNOLOGIES B.V. (NL) 2010-09-02 US claimed
EP-2197866-A2 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS AND HIGHER ALCOHOLS Furanix Technologies B.V (NL) 2010-06-23 EP claimed
WO-2009030507-A2 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS AND HIGHER ALCOHOLS FURANIX TECHNOLOGIES B.V. (NL) 2009-03-12 WO claimed