Aes-103

Aes-103

SCHEMBL3057795

CC(C)CCCCCOCCCCCC(C)C.O=Cc1ccc(CO)o1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
TSHR P16473 1/20 0.58
HIF1A Q16665 3/20 0.35
EPAS1 Q99814 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RARB P10826 1/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
STAT1 P42224 1/20 0.32
PRKCA P17252 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL2902789 0.86 ALDH1A1 (0.41) ALDH1A1TSHRHIF1AEPAS1SMN1; SMN2
SCHEMBL3057793 0.86 ALDH1A1 (0.41) ALDH1A1TSHRHIF1AEPAS1SMN1; SMN2
Aes-103 SCHEMBL2899976 0.85 ALDH1A1 (0.63) ALDH1A1TSHRSMN1; SMN2POLBLMNA
Aes-103 SCHEMBL2896613 0.85 ALDH1A1 (0.63) ALDH1A1TSHRSMN1; SMN2POLBLMNA
Aes-103 SCHEMBL2894582 0.85 ALDH1A1 (0.63) ALDH1A1TSHRSMN1; SMN2POLBLMNA
Aes-103 SCHEMBL4300664 0.85 ALDH1A1 (0.67) ALDH1A1TSHRSMN1; SMN2POLBNPC1
Aes-103 SCHEMBL4301948 0.82 ALDH1A1 (0.71) ALDH1A1TSHRSMN1; SMN2POLBLMNA
Aes-103 SCHEMBL3053025 0.80 ALDH1A1 (0.69) ALDH1A1TSHRSMN1; SMN2POLBLMNA
SCHEMBL31498244 0.80 HIF1A (0.49) ALDH1A1TSHRHIF1AEPAS1SMN1; SMN2
SCHEMBL31498245 0.80 HIF1A (0.49) ALDH1A1TSHRHIF1AEPAS1SMN1; SMN2

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-2197867-B1 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS OR HMF AND BRANCHED ALCOHOLS FURANIX TECHNOLOGIES BV (NL) 2016-03-02 EP claimed
US-20100218416-A1 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS OR HMF AND BRANCHED ALCOHOLS FURANIX TECHNOLOGIES B.V. (NL) 2010-09-02 US claimed
EP-2197867-A2 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS OR HMF AND BRANCHED ALCOHOLS Furanix Technologies B.V (NL) 2010-06-23 EP claimed
WO-2009030506-A2 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS OR HMF AND BRANCHED ALCOHOLS FURANIX TECHNOLOGIES B.V. (NL) 2009-03-12 WO claimed