SCHEMBL26936729

SCHEMBL26936729

COc1cc(C=O)ccc1Oc1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.72
ALDH1A1 P00352 10/20 0.65
TSHR P16473 1/20 0.64
MAPT P10636 6/20 0.58
HPGD P15428 5/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
FDPS P14324 1/20 0.55
TDP1 Q9NUW8 2/20 0.50
AOX1 Q06278 1/20 0.50
TRIM24 O15164 1/20 0.50
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
CYP1A2 P05177 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TACR2 P21452 1/20 0.48

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
SCHEMBL17955067 0.90 TTR (0.81) TTRALDH1A1TSHRMAPTHPGD
SCHEMBL30628472 0.90 TTR (0.57) TTRALDH1A1TSHRMAPTHPGD
SCHEMBL26936583 0.89 TTR (0.79) TTRALDH1A1TSHRMAPTHPGD
SCHEMBL27670275 0.86 TTR (0.74) TTRALDH1A1TSHRMAPTHPGD
SCHEMBL26936448 0.84 TTR (0.72) TTRALDH1A1TSHRMAPTHPGD
SCHEMBL27983148 0.84 TTR (0.72) TTRALDH1A1TSHRMAPTHPGD
SCHEMBL4258455 0.84 TTR (0.72) TTRALDH1A1TSHRMAPTHPGD
SCHEMBL1616189 0.84 TTR (1.00) TTRALDH1A1TSHRMAPTHPGD
SCHEMBL31238528 0.84 TTR (1.00) TTRALDH1A1TSHRMAPTHPGD
SCHEMBL1869030 0.83 ALDH1A1 (0.84) TTRALDH1A1TSHRMAPTHPGD

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
WO-2023237721-A1 DIARYL ETHER COMPOUND AND MANUFACTURING METHOD FROM LIGNIN ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) (CH) 2023-12-14 WO disclosed
EP-4289811-A1 DIARYL ETHER COMPOUND AND MANUFACTURING METHOD FROM LIGNIN École Polytechnique Fédérale de Lausanne (EPFL) (CH) 2023-12-13 EP disclosed