Aes-103

Aes-103

SCHEMBL2893335

CC/C=C\C/C=C\C/C=C\CCCCCCCCOCCCCCCCC/C=C\C/C=C\C/C=C\CC.O=Cc1ccc(CO)o1

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
TSHR P16473 2/20 0.52
HIF1A Q16665 2/20 0.40
EPAS1 Q99814 2/20 0.40
F7 P08709 2/20 0.39
F3 P13726 2/20 0.39
MAPT P10636 2/20 0.39
CYP19A1 P11511 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
OXER1 Q8TDS5 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
FFAR1 O14842 1/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
PLA2G1B P04054 1/20 0.39
HPGD P15428 1/20 0.39

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 SCHEMBL2899876 0.93 ALDH1A1 (0.52) ALDH1A1TSHREPHX2
Aes-103 SCHEMBL2902667 0.90 ALDH1A1 (0.55) ALDH1A1TSHREPHX2
Aes-103 SCHEMBL2902673 0.90 ALDH1A1 (0.55) ALDH1A1TSHREPHX2
SCHEMBL2893338 0.88 HIF1A (0.41) ALDH1A1TSHRHIF1AEPAS1F7
Aes-103 SCHEMBL2900093 0.83 ALDH1A1 (0.63) ALDH1A1TSHRMAPTTDP1KDM4E
Aes-103 SCHEMBL2894582 0.83 ALDH1A1 (0.63) ALDH1A1TSHRMAPTTDP1KDM4E
Aes-103 SCHEMBL2896613 0.83 ALDH1A1 (0.63) ALDH1A1TSHRMAPTTDP1KDM4E
Aes-103 SCHEMBL2899976 0.83 ALDH1A1 (0.63) ALDH1A1TSHRMAPTTDP1KDM4E
Aes-103 SCHEMBL4300664 0.81 ALDH1A1 (0.67) ALDH1A1TSHRMAPTTDP1KDM4E
SCHEMBL2899878 0.81 EPHX2 (0.44) EPHX2

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